(phenylmethyl) 3-ethyl-1-(2-hydroxyethylamino)-2-oxidanylidene-3H-indol-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-ethyl-1-(2-hydroxyethylamino)-2-oxidanylidene-3H-indol-1-ium-1-carboxylate Openeye Name: benzyl 3-ethyl-1-(2-hydroxyethylamino)-2-oxo-indolin-1-ium-1-carboxylate CAS Name: 3-ethyl-1-(2-hydroxyethylamino)-2-oxo-3H-indol-1-ium-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethyl-1-(2-hydroxyethylamino)-2-oxo-3H-indol-1-ium-1-carboxylate Traditional Name: 3-ethyl-1-(2-hydroxyethylamino)-2-keto-indolin-1-ium-1-carboxylic acid benzyl ester Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2[N+](C1=O)(C(=O)OCC3=CC=CC=C3)NCCO

Isomeric SMILES

CCC1C2=CC=CC=C2[N+](C1=O)(C(=O)OCC3=CC=CC=C3)NCCO

InChI

InChI=1S/C20H23N2O4/c1-2-16-17-10-6-7-11-18(17)22(19(16)24,21-12-13-23)20(25)26-14-15-8-4-3-5-9-15/h3-11,16,21,23H,2,12-14H2,1H3/q+1