N-(2-hydroxyphenyl)-1-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[3-oxo-3-[4-(2-oxo-1-pyrrolidinyl)anilino]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[3-keto-3-[4-(2-ketopyrrolidino)anilino]propyl]piperidin-1-ium-4-carboxamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4O

InChI

InChI=1S/C25H30N4O4/c30-22-5-2-1-4-21(22)27-25(33)18-11-15-28(16-12-18)17-13-23(31)26-19-7-9-20(10-8-19)29-14-3-6-24(29)32/h1-2,4-5,7-10,18,30H,3,6,11-17H2,(H,26,31)(H,27,33)/p+1