(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-methyl-ammonium CAS Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-methyl-ammonium Formula: C20H22BrN3O2+2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C20H20BrN3O2/c1-3-10-26-18-7-4-15(5-8-18)12-23(2)14-17-11-20(25)24-13-16(21)6-9-19(24)22-17/h3-9,11,13H,1,10,12,14H2,2H3/p+2