2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[5-(1-piperidylsulfonyl)indolin-1-yl]ethanone CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(5-piperidinosulfonylindolin-1-yl)ethanone Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H32N4O4S/c30-22-6-4-21(5-7-22)27-16-14-26(15-17-27)19-25(31)29-13-10-20-18-23(8-9-24(20)29)34(32,33)28-11-2-1-3-12-28/h4-9,18,30H,1-3,10-17,19H2/p+1