(2R)-6-azaniumyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]hexanoate

Systemtic Name: (2R)-6-azaniumyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]hexanoate Openeye Name: (2R)-6-azaniumyl-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]hexanoate CAS Name: (2R)-6-ammonio-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]hexanoate IUPAC Name: (2R)-6-azaniumyl-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]hexanoate Traditional Name: (2R)-6-ammonio-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]hexanoate Formula: C17H23N2O5+ MolecularWeight: 335.37492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CCCC[NH3+])C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](CCCC[NH3+])C(=O)[O-])O

InChI

InChI=1S/C17H22N2O5/c1-10-8-15(21)24-16-11(10)5-6-14(20)12(16)9-19-13(17(22)23)4-2-3-7-18/h5-6,8,13,19-20H,2-4,7,9,18H2,1H3,(H,22,23)/p+1/t13-/m1/s1