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

Systemtic Name: 6-(3-bromanylpropyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one Openeye Name: 6-(3-bromopropyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one CAS Name: 6-(3-bromopropyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one IUPAC Name: 6-(3-bromopropyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one Traditional Name: 6-(3-bromopropyl)-1,2,3,4-tetrahydropyrimido[2,1-a]phthalazin-5-ium-7-one Formula: C14H17BrN3O+ MolecularWeight: 323.20828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O/c15-7-3-9-18-14(19)12-6-2-1-5-11(12)13-16-8-4-10-17(13)18/h1-2,5-6H,3-4,7-10H2/p+1