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

Systemtic Name: ethyl 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-ethylbenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid ethyl ester Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H34N2O3/c1-3-18-5-7-19(8-6-18)17-24-13-9-20(10-14-24)22(26)25-15-11-21(12-16-25)23(27)28-4-2/h5-8,20-21H,3-4,9-17H2,1-2H3/p+1