2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H20ClN4OS+ MolecularWeight: 399.917

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=CC(=O)[N+]4=CC=CC(=C4N3)C

InChI

InChI=1S/C20H19ClN4OS/c1-3-8-24-17-7-6-14(21)10-16(17)23-20(24)27-12-15-11-18(26)25-9-4-5-13(2)19(25)22-15/h4-7,9-11H,3,8,12H2,1-2H3/p+1