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

Systemtic Name: 5-azanyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one chloride Openeye Name: 5-amino-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one chloride CAS Name: 5-amino-4-(1,3-dimethyl-2-benzimidazolylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one chloride IUPAC Name: 5-amino-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one chloride Traditional Name: 5-amino-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-1-pyrrolin-1-ium-3-one chloride Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C3C(=O)C[N+](=C3N)CCC4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C3C(=O)C[N+](=C3N)CCC4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C21H22N4O.ClH/c1-23-16-10-6-7-11-17(16)24(2)21(23)19-18(26)14-25(20(19)22)13-12-15-8-4-3-5-9-15;/h3-11,22H,12-14H2,1-2H3;1H