(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) (2R)-pyrrolidin-1-ium-2-carboxylate chloride

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) (2R)-pyrrolidin-1-ium-2-carboxylate chloride Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) (2R)-pyrrolidin-1-ium-2-carboxylate chloride CAS Name: (2R)-2-pyrrolidin-1-iumcarboxylic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester chloride IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) (2R)-pyrrolidin-1-ium-2-carboxylate chloride Traditional Name: (2R)-pyrrolidin-1-ium-2-carboxylic acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester chloride Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCC[NH2+]3)OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H]3CCC[NH2+]3)OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H19NO5.ClH/c1-13-20(26-14-6-3-2-4-7-14)19(23)16-10-9-15(12-18(16)25-13)27-21(24)17-8-5-11-22-17;/h2-4,6-7,9-10,12,17,22H,5,8,11H2,1H3;1H/t17-;/m1./s1