N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]quinoline-2-carboxamide CAS Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]quinaldamide Formula: C31H37N4O4+ MolecularWeight: 529.64988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C31H36N4O4/c36-28(26-18-17-23-13-7-8-16-25(23)33-26)34-27(21-22-11-3-1-4-12-22)30(38)35(19-9-10-20-35)31(39)29(37)32-24-14-5-2-6-15-24/h1,3-4,7-8,11-13,16-18,24,27,31,39H,2,5-6,9-10,14-15,19-21H2,(H-,32,34,36,37)/p+1