2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H17N2O3S+ MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H16N2O3S/c1-12-2-5-17-19-13(8-18(21)20(17)10-12)11-24-14-3-4-15-16(9-14)23-7-6-22-15/h2-5,8-10H,6-7,11H2,1H3/p+1