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

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[2-(4-bromophenoxy)ethyl-methyl-amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[2-(4-bromophenoxy)ethyl-methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[2-(4-bromophenoxy)ethyl-methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[2-(4-bromophenoxy)ethyl-methyl-amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H17BrN3O2+ MolecularWeight: 375.23978

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H16BrN3O2/c1-20(10-11-23-14-7-5-13(18)6-8-14)16-12-17(22)21-9-3-2-4-15(21)19-16/h2-9,12H,10-11H2,1H3/p+1