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

Systemtic Name: ethyl 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-ethoxybenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H34N2O4/c1-3-28-21-7-5-18(6-8-21)17-24-13-9-19(10-14-24)22(26)25-15-11-20(12-16-25)23(27)29-4-2/h5-8,19-20H,3-4,9-17H2,1-2H3/p+1