1-[(1R,3S)-3-methylcyclohexyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(1R,3S)-3-methylcyclohexyl]-4-tosyl-piperazin-1-ium Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1CCC[C@H](C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H28N2O2S/c1-15-6-8-18(9-7-15)23(21,22)20-12-10-19(11-13-20)17-5-3-4-16(2)14-17/h6-9,16-17H,3-5,10-14H2,1-2H3/p+1/t16-,17+/m0/s1