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

Systemtic Name: 7-methyl-2-[(1-pentylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(1-pentylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(1-pentyl-2-benzimidazolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(1-pentylbenzimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-amylbenzimidazol-2-yl)thio]methyl]-7-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:

CCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

InChI

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