(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C20H22NO4+ MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CC=C3)O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CC=C3)O)O

InChI

InChI=1S/C20H21NO4/c1-2-13-8-16-15(9-20(24)25-19(16)10-17(13)22)11-21-12-18(23)14-6-4-3-5-7-14/h3-10,18,21-23H,2,11-12H2,1H3/p+1/t18-/m1/s1