1-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S/c22-21(27)16-7-12-23(13-8-16)15-20(26)25-11-3-4-17-14-18(5-6-19(17)25)30(28,29)24-9-1-2-10-24/h5-6,14,16H,1-4,7-13,15H2,(H2,22,27)/p+1