(2S)-2-(5-methoxy-1H-indol-3-yl)-2-(2-methylpropylazaniumyl)ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(2-methylpropylazaniumyl)ethanoate Openeye Name: (2S)-2-(isobutylammonio)-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(2-methylpropylammonio)acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(2-methylpropylazaniumyl)acetate Traditional Name: (2S)-2-(isobutylammonio)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(C1=CNC2=C1C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+][C@@H](C1=CNC2=C1C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c1-9(2)7-17-14(15(18)19)12-8-16-13-5-4-10(20-3)6-11(12)13/h4-6,8-9,14,16-17H,7H2,1-3H3,(H,18,19)/t14-/m0/s1