1-(3-chloranyl-4-methyl-phenyl)sulfonyl-4-cycloheptyl-piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)sulfonyl-4-cycloheptyl-piperazin-4-ium Openeye Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-4-cycloheptyl-piperazin-4-ium CAS Name: 1-(3-chloro-4-methylphenyl)sulfonyl-4-cycloheptylpiperazin-4-ium IUPAC Name: 1-(3-chloro-4-methylphenyl)sulfonyl-4-cycloheptylpiperazin-4-ium Traditional Name: 1-(3-chloro-4-methyl-phenyl)sulfonyl-4-cycloheptyl-piperazin-4-ium Formula: C18H28ClN2O2S+ MolecularWeight: 371.94512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCCCCC3)Cl

InChI

InChI=1S/C18H27ClN2O2S/c1-15-8-9-17(14-18(15)19)24(22,23)21-12-10-20(11-13-21)16-6-4-2-3-5-7-16/h8-9,14,16H,2-7,10-13H2,1H3/p+1