ethyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2-chlorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-chlorobenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C21H30ClN2O3+ MolecularWeight: 393.9275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H29ClN2O3/c1-2-27-21(26)17-9-13-24(14-10-17)20(25)16-7-11-23(12-8-16)15-18-5-3-4-6-19(18)22/h3-6,16-17H,2,7-15H2,1H3/p+1