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

Systemtic Name: methyl 1-[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H26ClN2O4+ MolecularWeight: 417.90584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-28-19-9-8-17(14-18(19)23)24-21(26)20(15-6-4-3-5-7-15)25-12-10-16(11-13-25)22(27)29-2/h3-9,14,16,20H,10-13H2,1-2H3,(H,24,26)/p+1/t20-/m0/s1