(7-bromanyl-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-bromanyl-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-bromo-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-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-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 (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H19BrN3O3+ MolecularWeight: 453.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC4=CC(=O)[N+]5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C22H18BrN3O3/c23-14-6-8-20-24-15(10-21(27)26(20)11-14)12-29-22(28)13-5-7-19-17(9-13)16-3-1-2-4-18(16)25-19/h5-11H,1-4,12H2,(H,25,28)/p+1