2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-bromobenzyl)-methyl-amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H17BrN3O+ MolecularWeight: 359.24038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H16BrN3O/c1-20(11-13-5-7-14(18)8-6-13)12-15-10-17(22)21-9-3-2-4-16(21)19-15/h2-10H,11-12H2,1H3/p+1