1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidino]ethanone Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C21H31N3O4S/c1-16-5-4-6-17(2)24(16)21(26)15-22-11-13-23(14-12-22)29(27,28)20-9-7-19(8-10-20)18(3)25/h7-10,16-17H,4-6,11-15H2,1-3H3/p+1/t16-,17-/m1/s1