2-[[(3-bromophenyl)amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(3-bromophenyl)amino]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(3-bromoanilino)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(3-bromoanilino)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(3-bromoanilino)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(3-bromoanilino)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H15BrN3O+ MolecularWeight: 345.2138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CNC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CNC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3O/c1-11-4-3-7-20-15(21)9-14(19-16(11)20)10-18-13-6-2-5-12(17)8-13/h2-9,18H,10H2,1H3/p+1