(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: 6,7,8,9-tetrahydro-5H-carbazole-3-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 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

InChI

InChI=1S/C23H21N3O3/c1-14-6-9-21-24-16(11-22(27)26(21)12-14)13-29-23(28)15-7-8-20-18(10-15)17-4-2-3-5-19(17)25-20/h6-12H,2-5,13H2,1H3,(H,25,28)/p+1