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1,3-benzodioxol-5-ylmethyl-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium

1,3-benzodioxol-5-ylmethyl-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium
Traditional Name:(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-piperonyl-ammonium
Formula: C17H16BrN3O3+2
MolecularWeight: 390.23124
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br


InChI

InChI=1S/C17H14BrN3O3/c18-12-2-4-16-20-13(6-17(22)21(16)9-12)8-19-7-11-1-3-14-15(5-11)24-10-23-14/h1-6,9,19H,7-8,10H2/p+2


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