(2S)-1-[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCCC3C(=O)N

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCC[C@H]3C(=O)N

InChI

InChI=1S/C20H24N4O4/c1-23(18(25)13-24-10-4-9-17(24)19(21)26)16-8-3-2-7-15(16)20(27)22-12-14-6-5-11-28-14/h2-3,5-8,11,17H,4,9-10,12-13H2,1H3,(H2,21,26)(H,22,27)/p+1/t17-/m0/s1