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

Systemtic Name: 3-imidazol-1-ylpropyl-[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]ammonium Formula: C21H24N5O3+ MolecularWeight: 394.44696

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-16-8-9-18(19(14-16)26(28)29)24-21(27)20(17-6-3-2-4-7-17)23-10-5-12-25-13-11-22-15-25/h2-4,6-9,11,13-15,20,23H,5,10,12H2,1H3,(H,24,27)/p+1/t20-/m1/s1