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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methyl-4-oxidanyl-pentan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-3-hydroxy-1,3-dimethyl-butyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-4-hydroxy-4-methylpentan-2-yl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-4-hydroxy-4-methylpentan-2-yl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-3-hydroxy-1,3-dimethyl-butyl]-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H36NO4+ MolecularWeight: 378.52554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CC(C)(C)O)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CC(C)(C)O)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C22H35NO4/c1-6-27-20(24)22(16-18-8-7-9-19(14-18)26-5)10-12-23(13-11-22)17(2)15-21(3,4)25/h7-9,14,17,25H,6,10-13,15-16H2,1-5H3/p+1/t17-/m1/s1