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

Systemtic Name: 2-piperidin-1-ium-1-yl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 2-(1-piperidin-1-iumyl)-1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-piperidin-1-ium-1-yl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-p-cumenylsulfonylpiperazino)-2-piperidin-1-ium-1-yl-ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-17(2)18-6-8-19(9-7-18)27(25,26)23-14-12-22(13-15-23)20(24)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3/p+1