1-(4-tert-butylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(1S,2S)-2-methylcyclohexyl]piperazin-4-ium Formula: C21H35N2O2S+ MolecularWeight: 379.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H34N2O2S/c1-17-7-5-6-8-20(17)22-13-15-23(16-14-22)26(24,25)19-11-9-18(10-12-19)21(2,3)4/h9-12,17,20H,5-8,13-16H2,1-4H3/p+1/t17-,20-/m0/s1