5-azanyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-(phenylmethyl)-2H-pyrrol-1-ium-3-one chloride

Systemtic Name: 5-azanyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-(phenylmethyl)-2H-pyrrol-1-ium-3-one chloride Openeye Name: 5-amino-1-benzyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-2H-pyrrol-1-ium-3-one chloride CAS Name: 5-amino-4-(1,3-dimethyl-2-benzimidazolylidene)-1-(phenylmethyl)-2H-pyrrol-1-ium-3-one chloride IUPAC Name: 5-amino-1-benzyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-2H-pyrrol-1-ium-3-one chloride Traditional Name: 5-amino-1-benzyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-pyrrolin-1-ium-3-one chloride Formula: C20H21ClN4O MolecularWeight: 368.85994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C3C(=O)C[N+](=C3N)CC4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C3C(=O)C[N+](=C3N)CC4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C20H20N4O.ClH/c1-22-15-10-6-7-11-16(15)23(2)20(22)18-17(25)13-24(19(18)21)12-14-8-4-3-5-9-14;/h3-11,21H,12-13H2,1-2H3;1H