(E)-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: (E)-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: (E)-1-carboxypropyl-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammonium CAS Name: (E)-[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]-(1-hydroxy-1-oxobutan-2-yl)ammonium IUPAC Name: (E)-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(1-hydroxy-1-oxobutan-2-yl)azanium Traditional Name: (E)-1-carboxypropyl-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammonium Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[NH+]=C1C=C(OC2=C1C=C(C=C2)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)O)/[NH+]=C/1\C=C(OC2=C1C=C(C=C2)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H23NO5/c1-5-16(22(24)25)23-17-12-20(28-18-8-6-13(2)10-15(17)18)14-7-9-19(26-3)21(11-14)27-4/h6-12,16H,5H2,1-4H3,(H,24,25)/p+1/b23-17+