(2R)-3-(1H-indol-3-yl)-2-(4-oxidanylidenepentan-2-ylideneazaniumyl)propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-(4-oxidanylidenepentan-2-ylideneazaniumyl)propanoate Openeye Name: (2R)-3-(1H-indol-3-yl)-2-(1-methyl-3-oxo-butylidene)ammonio-propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-(4-oxopentan-2-ylideneammonio)propanoate IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-(4-oxopentan-2-ylideneazaniumyl)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(3-keto-1-methyl-butylidene)ammonio-propionate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C(CC1=CNC2=CC=CC=C21)C(=O)[O-])CC(=O)C

Isomeric SMILES

CC(=[NH+][C@H](CC1=CNC2=CC=CC=C21)C(=O)[O-])CC(=O)C

InChI

InChI=1S/C16H18N2O3/c1-10(7-11(2)19)18-15(16(20)21)8-12-9-17-14-6-4-3-5-13(12)14/h3-6,9,15,17H,7-8H2,1-2H3,(H,20,21)/t15-/m1/s1