(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(1H-indol-3-yl)ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(1H-indol-3-yl)ethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic 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 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C19H15BrN3O3+ MolecularWeight: 413.2447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C19H14BrN3O3/c20-13-5-6-17-22-14(8-18(24)23(17)10-13)11-26-19(25)7-12-9-21-16-4-2-1-3-15(12)16/h1-6,8-10,21H,7,11H2/p+1