2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-bromanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[(piperonylamino)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H15BrN3O3+ MolecularWeight: 389.2233

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=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+1