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

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H14ClN2O3S+ MolecularWeight: 361.82266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCC3=CC(=O)[N+]4=CC=CC=C4N3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCC3=CC(=O)[N+]4=CC=CC=C4N3)Cl

InChI

InChI=1S/C17H13ClN2O3S/c18-13-5-11(6-14-17(13)23-10-22-14)8-24-9-12-7-16(21)20-4-2-1-3-15(20)19-12/h1-7H,8-10H2/p+1