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

Systemtic Name: ethyl (3S)-1-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-acetylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-acetylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-3-24-18(23)15-5-4-10-20(11-15)12-17(22)19-16-8-6-14(7-9-16)13(2)21/h6-9,15H,3-5,10-12H2,1-2H3,(H,19,22)/p+1/t15-/m0/s1