1-[4-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[4-(4-methylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperazin-4-ium-1-carbonyl)piperidino]sulfonylphenyl]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)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H27N3O4S/c1-15(23)16-3-5-18(6-4-16)27(25,26)22-9-7-17(8-10-22)19(24)21-13-11-20(2)12-14-21/h3-6,17H,7-14H2,1-2H3/p+1