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

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

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-22(2,3)21-11-9-19(10-12-21)17-23-13-15-24(16-14-23)27(25,26)18-20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3/p+1