N-[5-azanyl-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzamide chloride

Systemtic Name: N-[5-azanyl-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzamide chloride Openeye Name: N-[5-amino-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]benzamide chloride CAS Name: N-[5-amino-4-(1,3-dimethyl-2-benzimidazol-3-iumyl)-3-oxo-2H-pyrrol-1-yl]benzamide chloride IUPAC Name: N-[5-amino-4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-oxo-2H-pyrrol-1-yl]benzamide chloride Traditional Name: N-[2-amino-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4-keto-2-pyrrolin-1-yl]benzamide chloride Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C3=C(N(CC3=O)NC(=O)C4=CC=CC=C4)N)C.[Cl-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C3=C(N(CC3=O)NC(=O)C4=CC=CC=C4)N)C.[Cl-]

InChI

InChI=1S/C20H19N5O2.ClH/c1-23-14-10-6-7-11-15(14)24(2)20(23)17-16(26)12-25(18(17)21)22-19(27)13-8-4-3-5-9-13;/h3-11,21H,12H2,1-2H3,(H,22,27);1H