1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperidin-1-iumyl)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-1-(4-indan-5-ylsulfonylpiperazino)ethanone Formula: C27H34N3O4S+ MolecularWeight: 496.64156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCC(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH+]4CCC(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H33N3O4S/c31-26(20-28-13-11-23(12-14-28)27(32)22-5-2-1-3-6-22)29-15-17-30(18-16-29)35(33,34)25-10-9-21-7-4-8-24(21)19-25/h1-3,5-6,9-10,19,23H,4,7-8,11-18,20H2/p+1