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

Systemtic Name: 1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Formula: C26H34N3O4S+ MolecularWeight: 484.63086

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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+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c1-21(30)24-7-9-25(10-8-24)34(32,33)29-17-15-28(16-18-29)26(31)20-27-13-11-23(12-14-27)19-22-5-3-2-4-6-22/h2-10,23H,11-20H2,1H3/p+1