ethyl 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(1-o-veratrylpiperidin-1-ium-4-carbonyl)isonipecotic acid ethyl ester Formula: C23H35N2O5+ MolecularWeight: 419.5344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-4-30-23(27)18-10-14-25(15-11-18)22(26)17-8-12-24(13-9-17)16-19-6-5-7-20(28-2)21(19)29-3/h5-7,17-18H,4,8-16H2,1-3H3/p+1