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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-16-6-4-5-9-22(16)15-20(24)21-10-12-23(13-11-21)29(25,26)17-7-8-18(27-2)19(14-17)28-3/h7-8,14,16H,4-6,9-13,15H2,1-3H3/p+1/t16-/m0/s1