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

Systemtic Name: ethyl (3S)-1-methyl-1-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-benzyl-1-methyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-methyl-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-benzyl-1-methylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-benzyl-1-methyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+](C1)(C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[N+](C1)(C)CC2=CC=CC=C2

InChI

InChI=1S/C16H24NO2/c1-3-19-16(18)15-10-7-11-17(2,13-15)12-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3/q+1/t15-,17?/m0/s1