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

Systemtic Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-[(3S)-3-methylpiperidino]ethanone Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-16-5-4-8-22(14-16)20(24)15-21-9-11-23(12-10-21)29(25,26)19-13-17(27-2)6-7-18(19)28-3/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3/p+1/t16-/m0/s1