2-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-13-2-5-18-22-15(9-20(27)25(18)10-13)11-28-12-19-23-16-4-3-14(21)8-17(16)24(19)6-7-26/h2-5,8-10,26H,6-7,11-12H2,1H3/p+1