(2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-ium-1-yl)acetate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C

InChI

InChI=1S/C16H21N3O2/c1-11-14(12-5-3-4-6-13(12)17-11)15(16(20)21)19-9-7-18(2)8-10-19/h3-6,15,17H,7-10H2,1-2H3,(H,20,21)/t15-/m0/s1