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

Systemtic Name: (4-bromophenyl)methyl-methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium Traditional Name: (4-bromobenzyl)-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-methyl-ammonium Formula: C18H20BrN3O+2 MolecularWeight: 374.2749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O/c1-13-3-8-17-20-16(9-18(23)22(17)10-13)12-21(2)11-14-4-6-15(19)7-5-14/h3-10H,11-12H2,1-2H3/p+2