2-(4-oxidanylpiperidin-1-ium-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(4-oxidanylpiperidin-1-ium-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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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+]4CCC(CC4)O

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c24-17-7-12-21(13-8-17)15-20(25)23-11-3-4-16-14-18(5-6-19(16)23)28(26,27)22-9-1-2-10-22/h5-6,14,17,24H,1-4,7-13,15H2/p+1