6-(4-bromanylbutyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one

Systemtic Name: 6-(4-bromanylbutyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one Openeye Name: 6-(4-bromobutyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one CAS Name: 6-(4-bromobutyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one IUPAC Name: 6-(4-bromobutyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one Traditional Name: 6-(4-bromobutyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one Formula: C15H19BrN3O+ MolecularWeight: 337.23486

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=[N+](C1)N(C(=O)C3=CC=CC=C32)CCCCBr

Isomeric SMILES

C1CNC2=[N+](C1)N(C(=O)C3=CC=CC=C32)CCCCBr

InChI

InChI=1S/C15H18BrN3O/c16-8-3-4-10-19-15(20)13-7-2-1-6-12(13)14-17-9-5-11-18(14)19/h1-2,6-7H,3-5,8-11H2/p+1