7-bromanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H16BrN2O3S+ MolecularWeight: 420.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)OC1

InChI

InChI=1S/C18H15BrN2O3S/c19-12-2-5-17-20-13(8-18(22)21(17)10-12)11-25-14-3-4-15-16(9-14)24-7-1-6-23-15/h2-5,8-10H,1,6-7,11H2/p+1