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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium Formula: C17H26ClN2O2S+ MolecularWeight: 357.91854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O2S/c1-14-3-2-4-16(13-14)19-9-11-20(12-10-19)23(21,22)17-7-5-15(18)6-8-17/h5-8,14,16H,2-4,9-13H2,1H3/p+1/t14-,16+/m1/s1