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

Systemtic Name: 5-azanyl-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one Openeye Name: 5-amino-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one CAS Name: 5-amino-4-(1,3-dimethyl-2-benzimidazolylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one IUPAC Name: 5-amino-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-2H-pyrrol-1-ium-3-one Traditional Name: 5-amino-4-(1,3-dimethylbenzimidazol-2-ylidene)-1-phenethyl-1-pyrrolin-1-ium-3-one Formula: C21H23N4O+ MolecularWeight: 347.43352

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O/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/p+1