4-[[[(2R)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]methyl]benzoate

Systemtic Name: 4-[[[(2R)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]methyl]benzoate Openeye Name: 4-[[[(1R)-1-(1H-indol-3-ylmethyl)-2-oxido-2-oxo-ethyl]ammonio]methyl]benzoate CAS Name: 4-[[[(2R)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]ammonio]methyl]benzoate IUPAC Name: 4-[[[(2R)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]azaniumyl]methyl]benzoate Traditional Name: 4-[[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-oxido-ethyl]ammonio]methyl]benzoate Formula: C19H17N2O4- MolecularWeight: 337.34928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)[O-])[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H18N2O4/c22-18(23)13-7-5-12(6-8-13)10-20-17(19(24)25)9-14-11-21-16-4-2-1-3-15(14)16/h1-8,11,17,20-21H,9-10H2,(H,22,23)(H,24,25)/p-1/t17-/m1/s1