2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H36N3O3S+ MolecularWeight: 422.60454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)C)C(C)(C)C

InChI

InChI=1S/C22H35N3O3S/c1-17-14-19(22(3,4)5)15-18(2)21(17)29(27,28)25-12-10-23(11-13-25)16-20(26)24-8-6-7-9-24/h14-15H,6-13,16H2,1-5H3/p+1