1-[(4-tert-butylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-tert-butylbenzyl)-4-tosyl-piperazin-1-ium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-18-5-11-21(12-6-18)27(25,26)24-15-13-23(14-16-24)17-19-7-9-20(10-8-19)22(2,3)4/h5-12H,13-17H2,1-4H3/p+1