3-imidazol-1-ylpropyl-[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH2+]CCCN3C=CN=C3

InChI

InChI=1S/C21H24N4O/c1-17-8-10-19(11-9-17)24-21(26)20(18-6-3-2-4-7-18)23-12-5-14-25-15-13-22-16-25/h2-4,6-11,13,15-16,20,23H,5,12,14H2,1H3,(H,24,26)/p+1/t20-/m1/s1