(3R)-1-[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(2-furylmethylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-[(2-furanylmethylamino)-oxomethyl]anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(2-furfurylcarbamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C(=O)N

InChI

InChI=1S/C20H24N4O4/c21-19(26)14-5-3-9-24(12-14)13-18(25)23-17-8-2-1-7-16(17)20(27)22-11-15-6-4-10-28-15/h1-2,4,6-8,10,14H,3,5,9,11-13H2,(H2,21,26)(H,22,27)(H,23,25)/p+1/t14-/m1/s1