1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazino]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-16-5-3-4-10-21(16)15-19(23)20-11-13-22(14-12-20)27(24,25)18-8-6-17(26-2)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3/p+1/t16-/m0/s1