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

Systemtic Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C18H24N2O2 MolecularWeight: 300.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C2=C(NC3=CC=CC=C32)C)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)[C@@H](C2=C(NC3=CC=CC=C32)C)C(=O)[O-])C

InChI

InChI=1S/C18H24N2O2/c1-11-8-12(2)10-20(9-11)17(18(21)22)16-13(3)19-15-7-5-4-6-14(15)16/h4-7,11-12,17,19H,8-10H2,1-3H3,(H,21,22)/t11-,12+,17-/m0/s1