(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(4-methoxy-3-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(4-methoxy-3-methoxycarbonylphenyl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methoxy-benzyl)-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C22H24NO6+ MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3=CC(=C(C=C3)OC)C(=O)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3=CC(=C(C=C3)OC)C(=O)OC)O

InChI

InChI=1S/C22H23NO6/c1-4-14-8-16-15(9-21(25)29-20(16)10-18(14)24)12-23-11-13-5-6-19(27-2)17(7-13)22(26)28-3/h5-10,23-24H,4,11-12H2,1-3H3/p+1