ethyl (3S)-1-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-acetylanilino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(4-acetylanilino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-acetylanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(4-acetylanilino)-3-keto-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCC(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H26N2O4/c1-3-25-19(24)16-5-4-11-21(13-16)12-10-18(23)20-17-8-6-15(7-9-17)14(2)22/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1