ethyl (3R)-1-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)[C@@H](C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-31-23(28)18-10-7-13-25(15-18)21(17-8-5-4-6-9-17)22(27)24-19-12-11-16(2)14-20(19)26(29)30/h4-6,8-9,11-12,14,18,21H,3,7,10,13,15H2,1-2H3,(H,24,27)/p+1/t18-,21+/m1/s1