1-[(4-methylphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(p-tolylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-mesitylsulfonyl-4-(4-methylbenzyl)piperazin-4-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-16-5-7-20(8-6-16)15-22-9-11-23(12-10-22)26(24,25)21-18(3)13-17(2)14-19(21)4/h5-8,13-14H,9-12,15H2,1-4H3/p+1