(1-methylbenzimidazol-2-yl)methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (1-methylbenzimidazol-2-yl)methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-[(1-methylbenzimidazol-2-yl)methyl]ammonium CAS Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(1-methyl-2-benzimidazolyl)methyl]ammonium IUPAC Name: [(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(1-methylbenzimidazol-2-yl)methyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-[(1-methylbenzimidazol-2-yl)methyl]ammonium Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C24H24N4O/c1-17-12-14-19(15-13-17)26-24(29)23(18-8-4-3-5-9-18)25-16-22-27-20-10-6-7-11-21(20)28(22)2/h3-15,23,25H,16H2,1-2H3,(H,26,29)/p+1/t23-/m0/s1