(2S)-2-(2-methyl-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-piperidin-1-ium-1-ylacetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C16H20N2O2/c1-11-14(12-7-3-4-8-13(12)17-11)15(16(19)20)18-9-5-2-6-10-18/h3-4,7-8,15,17H,2,5-6,9-10H2,1H3,(H,19,20)/t15-/m0/s1