2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H32N4O4S/c30-22-7-5-21(6-8-22)27-16-14-26(15-17-27)19-25(31)29-13-3-4-20-18-23(9-10-24(20)29)34(32,33)28-11-1-2-12-28/h5-10,18,30H,1-4,11-17,19H2/p+1