(E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)pentylidene]azanium

Systemtic Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)pentylidene]azanium Openeye Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-oxo-cyclohexen-1-yl)pentylidene]ammonium CAS Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-oxo-1-cyclohexenyl)pentylidene]ammonium IUPAC Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-oxocyclohexen-1-yl)pentylidene]azanium Traditional Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-keto-cyclohexen-1-yl)pentylidene]ammonium Formula: C23H34NO4+ MolecularWeight: 388.52036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=[NH+]CCC1=CC(=C(C=C1)OCC)OCC)C2=C(CCCC2=O)O

Isomeric SMILES

CCCC/C(=[NH+]\CCC1=CC(=C(C=C1)OCC)OCC)/C2=C(CCCC2=O)O

InChI

InChI=1S/C23H33NO4/c1-4-7-9-18(23-19(25)10-8-11-20(23)26)24-15-14-17-12-13-21(27-5-2)22(16-17)28-6-3/h12-13,16,25H,4-11,14-15H2,1-3H3/p+1/b24-18+