2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(5-tert-butyl-2-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-18-8-9-19(22(2,3)4)16-20(18)29(27,28)25-14-12-23(13-15-25)17-21(26)24-10-6-5-7-11-24/h8-9,16H,5-7,10-15,17H2,1-4H3/p+1