4-[[4-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H28N5OS+ MolecularWeight: 434.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N5OS/c1-2-11-29-22-6-4-3-5-21(22)26-24(29)31-18-23(30)28-14-12-27(13-15-28)17-20-9-7-19(16-25)8-10-20/h3-10H,2,11-15,17-18H2,1H3/p+1