N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-4-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]pyridine-4-carboxamide Openeye Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]pyridine-4-carboxamide CAS Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-1-oxo-3-phenylpropan-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-4-carboxamide Traditional Name: N-[1-benzyl-2-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-yl]-2-keto-ethyl]isonicotinamide Formula: C27H35N4O4+ MolecularWeight: 479.5912

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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=CC=NC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4/c32-24(21-13-15-28-16-14-21)30-23(19-20-9-3-1-4-10-20)26(34)31(17-7-8-18-31)27(35)25(33)29-22-11-5-2-6-12-22/h1,3-4,9-10,13-16,22-23,27,35H,2,5-8,11-12,17-19H2,(H-,29,30,32,33)/p+1