1-cycloheptyl-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-cycloheptyl-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-cycloheptyl-piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-cycloheptylpiperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-cycloheptylpiperazin-4-ium Traditional Name: 1-besyl-4-cycloheptyl-piperazin-4-ium Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H26N2O2S/c20-22(21,17-10-6-3-7-11-17)19-14-12-18(13-15-19)16-8-4-1-2-5-9-16/h3,6-7,10-11,16H,1-2,4-5,8-9,12-15H2/p+1