2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-(4-methylbenzyl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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