ISDA: 9EO8

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1H58

IUPAC Name: bis(chloranyl)-$l^{4}-azanyl-(2-methylpyridin-1-ium-1-yl)platinum

Formal Charge: ?

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cc[nH]cc1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C6 H10 Cl2 N2 Pt

Molecular weight: 376.141

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	(T-4)-amminedichlorido(2-methylpyridine-kappaN)platinum(1+)
OpenEye OEToolkits	3.1.0.0	bis(chloranyl)-$l^{4}-azanyl-(2-methylpyridin-1-ium-1-yl)platinum

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	[NH3][Pt](Cl)(Cl)[n+]1ccccc1C
InChI	InChI	1.06	InChI=1S/C6H7N.2ClH.H3N.Pt/c1-6-4-2-3-5-7-6;;;;/h2-5H,1H3;2*1H;1H3;/q;;;;+3/p-2
InChIKey	InChI	1.06	GRESPVJMKXTWBF-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	N.Cc1cccc[n+]1[Pt](Cl)Cl
SMILES	CACTVS	3.385	N.Cc1cccc[n+]1[Pt](Cl)Cl
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cccc[n+]1[Pt]([NH3])(Cl)Cl
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cccc[n+]1[Pt]([NH3])(Cl)Cl