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

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-(2-phenoxyethyl)ammonium Formula: C18H20BrN3O2+2 MolecularWeight: 390.2743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C18H18BrN3O2/c1-21(9-10-24-16-5-3-2-4-6-16)13-15-11-18(23)22-12-14(19)7-8-17(22)20-15/h2-8,11-12H,9-10,13H2,1H3/p+2