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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indole-2-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H16N3O3+ MolecularWeight: 334.34864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C19H15N3O3/c1-12-6-7-17-20-14(9-18(23)22(17)10-12)11-25-19(24)16-8-13-4-2-3-5-15(13)21-16/h2-10H,11H2,1H3,(H,21,24)/p+1