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

Systemtic Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-besyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-15-6-5-7-16(14-15)18-10-12-19(13-11-18)22(20,21)17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3/p+1/t15-,16+/m1/s1