ethyl 1-[(2R)-1-methylpiperidin-1-ium-2-yl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-methylpiperidin-1-ium-2-yl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-1-methylpiperidin-1-ium-2-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[(2R)-1-methyl-2-piperidin-1-iumyl]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-methylpiperidin-1-ium-2-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(2R)-1-methylpiperidin-1-ium-2-carbonyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CCCC[NH+]2C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@H]2CCCC[NH+]2C)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H36N2O3/c1-3-29-23(28)24(14-9-12-20-10-5-4-6-11-20)15-18-26(19-16-24)22(27)21-13-7-8-17-25(21)2/h4-6,10-11,21H,3,7-9,12-19H2,1-2H3/p+1/t21-/m1/s1