1-[(4-tert-butylphenyl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-tert-butylbenzyl)-4-(2,4-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S/c1-18-6-11-22(19(2)16-18)28(26,27)25-14-12-24(13-15-25)17-20-7-9-21(10-8-20)23(3,4)5/h6-11,16H,12-15,17H2,1-5H3/p+1