2-(3,4-diethoxyphenyl)ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 2-(3,4-diethoxyphenyl)ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 2-(3,4-diethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 2-(3,4-diethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 2-(3,4-diethoxyphenyl)ethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: 2-(3,4-diethoxyphenyl)ethyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3C)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3C)O)OCC

InChI

InChI=1S/C23H27NO5/c1-4-27-20-9-6-16(12-21(20)28-5-2)10-11-24-14-17-13-22(26)29-23-15(3)19(25)8-7-18(17)23/h6-9,12-13,24-25H,4-5,10-11,14H2,1-3H3/p+1