ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2R)-1-methylazepan-1-ium-2-yl]carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2R)-1-methylazepan-1-ium-2-yl]carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2R)-1-methylazepan-1-ium-2-carbonyl]piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[[(2R)-1-methyl-2-azepan-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2R)-1-methylazepan-1-ium-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-1-methylazepan-1-ium-2-carbonyl]-4-p-anisyl-isonipecotic acid ethyl ester Formula: C24H37N2O4+ MolecularWeight: 417.56158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CCCCC[NH+]2C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H]2CCCCC[NH+]2C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H36N2O4/c1-4-30-23(28)24(18-19-9-11-20(29-3)12-10-19)13-16-26(17-14-24)22(27)21-8-6-5-7-15-25(21)2/h9-12,21H,4-8,13-18H2,1-3H3/p+1/t21-/m1/s1