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

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(3R)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone Traditional Name: 1-[(3R)-3-methylpiperidino]-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C20H31N3O4S/c1-3-27-18-6-8-19(9-7-18)28(25,26)23-13-11-21(12-14-23)16-20(24)22-10-4-5-17(2)15-22/h6-9,17H,3-5,10-16H2,1-2H3/p+1/t17-/m1/s1