ethyl (3S)-1-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24ClN2O3+ MolecularWeight: 339.83706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O3/c1-2-23-17(22)14-4-3-9-20(11-14)12-16(21)19-10-13-5-7-15(18)8-6-13/h5-8,14H,2-4,9-12H2,1H3,(H,19,21)/p+1/t14-/m0/s1