(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylindole-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylindole-3-carboxylate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H18N3O3+ MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H17N3O3/c1-2-22-12-16(15-7-3-4-8-17(15)22)20(25)26-13-14-11-19(24)23-10-6-5-9-18(23)21-14/h3-12H,2,13H2,1H3/p+1