1-(azocan-1-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azocanyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azocan-1-yl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C22H36N3O3S+ MolecularWeight: 422.60454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCCC3

InChI

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