1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-isobutylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-isobutylphenyl)sulfonyl-piperazin-1-ium Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-18(2)16-19-8-10-21(11-9-19)26(24,25)23-14-12-22(13-15-23)17-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3/p+1