ethyl 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(1-m-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=C3)OC

Isomeric SMILES

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

InChI

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