1-cyclohexyl-4-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine-1,4-diium

Systemtic Name: 1-cyclohexyl-4-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine-1,4-diium Openeye Name: 1-cyclohexyl-4-[(1S)-1-methyl-2-(p-tolylsulfonyl)ethyl]piperazine-1,4-diium CAS Name: 1-cyclohexyl-4-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine-1,4-diium IUPAC Name: 1-cyclohexyl-4-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]piperazine-1,4-diium Traditional Name: 1-cyclohexyl-4-[(1S)-1-methyl-2-tosyl-ethyl]piperazine-1,4-diium Formula: C20H34N2O2S+2 MolecularWeight: 366.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C)[NH+]2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@H](C)[NH+]2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C20H32N2O2S/c1-17-8-10-20(11-9-17)25(23,24)16-18(2)21-12-14-22(15-13-21)19-6-4-3-5-7-19/h8-11,18-19H,3-7,12-16H2,1-2H3/p+2/t18-/m0/s1