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

Systemtic Name: ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(1-o-anisylpiperidin-1-ium-4-carbonyl)isonipecotic acid ethyl ester Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C22H32N2O4/c1-3-28-22(26)18-10-14-24(15-11-18)21(25)17-8-12-23(13-9-17)16-19-6-4-5-7-20(19)27-2/h4-7,17-18H,3,8-16H2,1-2H3/p+1