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

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O3S/c1-15-4-2-3-9-21(15)14-18(23)20-10-12-22(13-11-20)26(24,25)17-7-5-16(19)6-8-17/h5-8,15H,2-4,9-14H2,1H3/p+1/t15-/m0/s1