ethyl (3S)-1-cyclobutyl-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-cyclobutyl-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-cyclobutyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-cyclobutyl-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-cyclobutylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-cyclobutyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28NO2+ MolecularWeight: 302.43112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27NO2/c1-2-22-18(21)19(14-16-8-4-3-5-9-16)12-7-13-20(15-19)17-10-6-11-17/h3-5,8-9,17H,2,6-7,10-15H2,1H3/p+1/t19-/m0/s1