(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2S)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C2=CNC3=CC=CC=C32)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C

InChI

InChI=1S/C17H22N2O2/c1-11-7-12(2)10-19(9-11)16(17(20)21)14-8-18-15-6-4-3-5-13(14)15/h3-6,8,11-12,16,18H,7,9-10H2,1-2H3,(H,20,21)/t11-,12+,16-/m0/s1