(3R)-3-azaniumyl-4-(1-methylindol-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3R)-3-azaniumyl-4-(1-methylindol-3-yl)-4-oxidanylidene-butanoate Openeye Name: (3R)-3-azaniumyl-4-(1-methylindol-3-yl)-4-oxo-butanoate CAS Name: (3R)-3-ammonio-4-(1-methyl-3-indolyl)-4-oxobutanoate IUPAC Name: (3R)-3-azaniumyl-4-(1-methylindol-3-yl)-4-oxobutanoate Traditional Name: (3R)-3-ammonio-4-keto-4-(1-methylindol-3-yl)butyrate Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-15-7-9(8-4-2-3-5-11(8)15)13(18)10(14)6-12(16)17/h2-5,7,10H,6,14H2,1H3,(H,16,17)/t10-/m1/s1