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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(3R)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3R)-3-methylpiperidino]ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H31N3O3S/c1-16-6-7-18(3)19(13-16)27(25,26)23-11-9-21(10-12-23)15-20(24)22-8-4-5-17(2)14-22/h6-7,13,17H,4-5,8-12,14-15H2,1-3H3/p+1/t17-/m1/s1