N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-methyl-N-(4-methylbenzyl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-18-8-10-19(11-9-18)16-22(2)21(25)17-23-12-14-24(15-13-23)28(26,27)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3/p+1