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

Systemtic Name: ethyl 1-[(1S)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1S)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H25ClN3O5+ MolecularWeight: 446.904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O5/c1-2-31-22(28)16-10-12-25(13-11-16)20(15-6-4-3-5-7-15)21(27)24-17-8-9-18(23)19(14-17)26(29)30/h3-9,14,16,20H,2,10-13H2,1H3,(H,24,27)/p+1/t20-/m0/s1