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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylsulfonylbenzimidazol-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylsulfonylbenzimidazol-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylsulfonyl-1-benzimidazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylsulfonylbenzimidazol-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-mesylbenzimidazol-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H30N5O4S+ MolecularWeight: 484.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=C3S(=O)(=O)C

InChI

InChI=1S/C24H29N5O4S/c1-17-7-6-8-18(2)23(17)26-21(30)15-27-11-13-28(14-12-27)22(31)16-29-20-10-5-4-9-19(20)25-24(29)34(3,32)33/h4-10H,11-16H2,1-3H3,(H,26,30)/p+1