(2S)-3-(1H-indol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-(3-methyl-1-pyridin-1-iumyl)propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)propionic acid Formula: C17H17N2O2+ MolecularWeight: 281.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H16N2O2/c1-12-5-4-8-19(11-12)16(17(20)21)9-13-10-18-15-7-3-2-6-14(13)15/h2-8,10-11,16,18H,9H2,1H3/p+1/t16-/m0/s1