[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C16H14N3O3+ MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=C([NH+]=CC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=C([NH+]=CC=C3)N

InChI

InChI=1S/C16H13N3O3/c17-15-11(5-3-7-18-15)16(21)22-9-14(20)12-8-19-13-6-2-1-4-10(12)13/h1-8,19H,9H2,(H2,17,18)/p+1