(2S,4R)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-hydroxy-N-(4-methyl-2-oxo-chromen-7-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-hydroxy-N-(4-methyl-2-oxochromen-7-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-hydroxy-N-(2-keto-4-methyl-chromen-7-yl)pyrrolidin-1-ium-2-carboxamide Formula: C15H17N2O4+ MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C15H16N2O4/c1-8-4-14(19)21-13-5-9(2-3-11(8)13)17-15(20)12-6-10(18)7-16-12/h2-5,10,12,16,18H,6-7H2,1H3,(H,17,20)/p+1/t10-,12+/m1/s1