2-piperidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-piperidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-piperidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1-piperidin-1-iumyl)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-piperidin-1-ium-1-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-mesitylsulfonylpiperazino)-2-piperidin-1-ium-1-yl-ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-13-17(2)20(18(3)14-16)27(25,26)23-11-9-22(10-12-23)19(24)15-21-7-5-4-6-8-21/h13-14H,4-12,15H2,1-3H3/p+1