1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-tert-butyl-2-methyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-tert-butyl-2-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(5-tert-butyl-2-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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