2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-hexyl-2-benzimidazolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-hexylbenzimidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4OS/c1-2-3-4-8-13-25-19-11-6-5-10-18(19)24-22(25)28-16-17-15-21(27)26-14-9-7-12-20(26)23-17/h5-7,9-12,14-15H,2-4,8,13,16H2,1H3/p+1