ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-2-methylbutyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-2-methylbutyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-2-methylbutyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(2R)-2-methylbutyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-2-methylbutyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(2R)-2-methylbutyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH+]1CCC(CC1)(CC2=CC(=CC=C2)OC)C(=O)OCC

Isomeric SMILES

CC[C@@H](C)C[NH+]1CCC(CC1)(CC2=CC(=CC=C2)OC)C(=O)OCC

InChI

InChI=1S/C21H33NO3/c1-5-17(3)16-22-12-10-21(11-13-22,20(23)25-6-2)15-18-8-7-9-19(14-18)24-4/h7-9,14,17H,5-6,10-13,15-16H2,1-4H3/p+1/t17-/m1/s1