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

Systemtic Name: (1-ethanoylpiperidin-4-yl)-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (1-acetyl-4-piperidyl)-[(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (1-acetyl-4-piperidinyl)-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (1-acetylpiperidin-4-yl)-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: (1-acetyl-4-piperidyl)-[(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]ammonium Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]C3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]C3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-15-8-9-19(20(14-15)26(29)30)24-22(28)21(17-6-4-3-5-7-17)23-18-10-12-25(13-11-18)16(2)27/h3-9,14,18,21,23H,10-13H2,1-2H3,(H,24,28)/p+1/t21-/m0/s1