1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-piperidin-1-ium-1-yl-ethanone Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H27N3O4S/c1-16(23)17-5-7-18(8-6-17)27(25,26)22-13-11-21(12-14-22)19(24)15-20-9-3-2-4-10-20/h5-8H,2-4,9-15H2,1H3/p+1