[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H16N2O4/c1-2-12-4-3-5-14-15(10-19-17(12)14)16(21)11-24-18(22)13-6-8-20(23)9-7-13/h3-10,19H,2,11H2,1H3