(2R)-2-[(7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methylazaniumyl]propanoate

Systemtic Name: (2R)-2-[(7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methylazaniumyl]propanoate Openeye Name: (2R)-2-[(7-hydroxy-2-oxo-4-propyl-chromen-8-yl)methylammonio]propanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-propyl-1-benzopyran-8-yl)methylammonio]propanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]propanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-propyl-chromen-8-yl)methylammonio]propionate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C)C(=O)[O-])O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](C)C(=O)[O-])O

InChI

InChI=1S/C16H19NO5/c1-3-4-10-7-14(19)22-15-11(10)5-6-13(18)12(15)8-17-9(2)16(20)21/h5-7,9,17-18H,3-4,8H2,1-2H3,(H,20,21)/t9-/m1/s1