N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C25H31N5O2S/c1-4-30-21-11-6-5-10-20(21)26-25(30)33-17-23(32)29-14-12-28(13-15-29)16-22(31)27-24-18(2)8-7-9-19(24)3/h5-11H,4,12-17H2,1-3H3,(H,27,31)/p+1