2-(1-methylpiperidin-1-ium-1-yl)ethyl (2R)-2-methyl-2-phenyl-butanoate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (2R)-2-methyl-2-phenyl-butanoate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (2R)-2-methyl-2-phenyl-butanoate CAS Name: (2R)-2-methyl-2-phenylbutanoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (2R)-2-methyl-2-phenylbutanoate Traditional Name: (2R)-2-methyl-2-phenyl-butyric acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=CC=C1)C(=O)OCC[N+]2(CCCCC2)C

Isomeric SMILES

CC[C@](C)(C1=CC=CC=C1)C(=O)OCC[N+]2(CCCCC2)C

InChI

InChI=1S/C19H30NO2/c1-4-19(2,17-11-7-5-8-12-17)18(21)22-16-15-20(3)13-9-6-10-14-20/h5,7-8,11-12H,4,6,9-10,13-16H2,1-3H3/q+1/t19-/m1/s1