(3S)-3-azaniumyl-4-(1-methylindol-3-yl)butanoate

Systemtic Name: (3S)-3-azaniumyl-4-(1-methylindol-3-yl)butanoate Openeye Name: (3S)-3-azaniumyl-4-(1-methylindol-3-yl)butanoate CAS Name: (3S)-3-ammonio-4-(1-methyl-3-indolyl)butanoate IUPAC Name: (3S)-3-azaniumyl-4-(1-methylindol-3-yl)butanoate Traditional Name: (3S)-3-ammonio-4-(1-methylindol-3-yl)butyrate Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(CC(=O)[O-])[NH3+]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H16N2O2/c1-15-8-9(6-10(14)7-13(16)17)11-4-2-3-5-12(11)15/h2-5,8,10H,6-7,14H2,1H3,(H,16,17)/t10-/m0/s1