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

Systemtic Name: (3R)-3-azaniumyl-4-(1-methylpyrrol-3-yl)-4-oxidanylidene-butanoate Openeye Name: (3R)-3-azaniumyl-4-(1-methylpyrrol-3-yl)-4-oxo-butanoate CAS Name: (3R)-3-ammonio-4-(1-methyl-3-pyrrolyl)-4-oxobutanoate IUPAC Name: (3R)-3-azaniumyl-4-(1-methylpyrrol-3-yl)-4-oxobutanoate Traditional Name: (3R)-3-ammonio-4-keto-4-(1-methylpyrrol-3-yl)butyrate Formula: C9H12N2O3 MolecularWeight: 196.20318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CN1C=CC(=C1)C(=O)[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C9H12N2O3/c1-11-3-2-6(5-11)9(14)7(10)4-8(12)13/h2-3,5,7H,4,10H2,1H3,(H,12,13)/t7-/m1/s1