methyl 1-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-chlorobenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid methyl ester Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN2O3/c1-26-20(25)17-7-11-23(12-8-17)19(24)16-5-9-22(10-6-16)14-15-3-2-4-18(21)13-15/h2-4,13,16-17H,5-12,14H2,1H3/p+1