ethyl (3S)-1-[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H25ClN2O3/c1-2-24-18(23)15-6-4-10-21(12-15)13-17(22)20-9-8-14-5-3-7-16(19)11-14/h3,5,7,11,15H,2,4,6,8-10,12-13H2,1H3,(H,20,22)/p+1/t15-/m0/s1