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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-piperonyl-ammonium Formula: C17H15BrN3O3+ MolecularWeight: 389.2233

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=O)N4C=C(C=CC4=N3)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