(3S)-2,2-dimethyl-3-phenyl-3-piperidin-1-ium-1-yl-propanoate

Systemtic Name: (3S)-2,2-dimethyl-3-phenyl-3-piperidin-1-ium-1-yl-propanoate Openeye Name: (3S)-2,2-dimethyl-3-phenyl-3-piperidin-1-ium-1-yl-propanoate CAS Name: (3S)-2,2-dimethyl-3-phenyl-3-(1-piperidin-1-iumyl)propanoate IUPAC Name: (3S)-2,2-dimethyl-3-phenyl-3-piperidin-1-ium-1-ylpropanoate Traditional Name: (3S)-2,2-dimethyl-3-phenyl-3-piperidin-1-ium-1-yl-propionate Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=CC=C1)[NH+]2CCCCC2)C(=O)[O-]

Isomeric SMILES

CC(C)([C@H](C1=CC=CC=C1)[NH+]2CCCCC2)C(=O)[O-]

InChI

InChI=1S/C16H23NO2/c1-16(2,15(18)19)14(13-9-5-3-6-10-13)17-11-7-4-8-12-17/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3,(H,18,19)/t14-/m0/s1