2-[[(4-bromanyl-2-methyl-phenyl)amino]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(4-bromanyl-2-methyl-phenyl)amino]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-bromo-2-methyl-anilino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(4-bromo-2-methylanilino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-bromo-2-methylanilino)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-bromo-2-methyl-anilino)methyl]-7-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:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C17H16BrN3O/c1-11-3-6-16-20-14(8-17(22)21(16)10-11)9-19-15-5-4-13(18)7-12(15)2/h3-8,10,19H,9H2,1-2H3/p+1