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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(4-tert-butylphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(4-tert-butylbenzyl)piperazin-4-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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