2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazino]ethanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-16-12-17(2)14-21(13-16)15-20(24)22-8-10-23(11-9-22)28(25,26)19-6-4-18(27-3)5-7-19/h4-7,16-17H,8-15H2,1-3H3/p+1/t16-,17-/m1/s1