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

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H31N3O3S/c1-16-6-8-21(9-7-16)15-20(24)22-10-12-23(13-11-22)27(25,26)19-14-17(2)4-5-18(19)3/h4-5,14,16H,6-13,15H2,1-3H3/p+1