1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-(4-tosylpiperazino)ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H29N3O3S/c1-16-5-7-18(8-6-16)26(24,25)22-12-10-21(11-13-22)19(23)15-20-9-3-4-17(2)14-20/h5-8,17H,3-4,9-15H2,1-2H3/p+1/t17-/m1/s1