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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H16ClN2O3S+ MolecularWeight: 375.84924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H15ClN2O3S/c1-11-2-3-16-20-13(6-17(22)21(16)7-11)9-25-8-12-4-14(19)18-15(5-12)23-10-24-18/h2-7H,8-10H2,1H3/p+1