N-(2,3-dimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C23H31N3O3S/c1-16-13-18(3)23(19(4)14-16)30(28,29)26-11-9-25(10-12-26)15-22(27)24-21-8-6-7-17(2)20(21)5/h6-8,13-14H,9-12,15H2,1-5H3,(H,24,27)/p+1