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

Systemtic Name: methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(3-chlorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H21ClN2O3/c1-22-16(21)13-5-7-19(8-6-13)11-15(20)18-10-12-3-2-4-14(17)9-12/h2-4,9,13H,5-8,10-11H2,1H3,(H,18,20)/p+1