N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=C(C=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-18-6-9-22(10-7-18)30(28,29)26-13-11-25(12-14-26)17-23(27)24(4)16-21-8-5-19(2)15-20(21)3/h5-10,15H,11-14,16-17H2,1-4H3/p+1