1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-21(2,3)19-9-11-20(12-10-19)26(24,25)23-15-13-22(14-16-23)17-18-7-5-4-6-8-18/h4-12H,13-17H2,1-3H3/p+1