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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(2-methylpropylazaniumyl)ethanoate Openeye Name: (2S)-2-(isobutylammonio)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(2-methylpropylammonio)acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-(2-methylpropylazaniumyl)acetate Traditional Name: (2S)-2-(isobutylammonio)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH2+]CC(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH2+]CC(C)C

InChI

InChI=1S/C15H20N2O2/c1-9(2)8-16-14(15(18)19)13-10(3)17-12-7-5-4-6-11(12)13/h4-7,9,14,16-17H,8H2,1-3H3,(H,18,19)/t14-/m0/s1