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

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C16H25ClN3O3S2+ MolecularWeight: 406.971

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H24ClN3O3S2/c1-13-3-2-6-18(11-13)12-15(21)19-7-9-20(10-8-19)25(22,23)16-5-4-14(17)24-16/h4-5,13H,2-3,6-12H2,1H3/p+1/t13-/m0/s1