2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H28N5O3S2+ MolecularWeight: 498.64082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC4=CC(=O)[N+]5=C(C=CC=C5N4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC4=CC(=O)[N+]5=C(C=CC=C5N4)C

InChI

InChI=1S/C24H27N5O3S2/c1-3-28-21-11-10-19(34(31,32)27-12-5-4-6-13-27)15-20(21)26-24(28)33-16-18-14-23(30)29-17(2)8-7-9-22(29)25-18/h7-11,14-15H,3-6,12-13,16H2,1-2H3/p+1