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

Systemtic Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)butylidene]azanium Openeye Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-oxo-cyclohexen-1-yl)butylidene]ammonium CAS Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-oxo-1-cyclohexenyl)butylidene]ammonium IUPAC Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-oxocyclohexen-1-yl)butylidene]azanium Traditional Name: (E)-2-(3,4-diethoxyphenyl)ethyl-[1-(2-hydroxy-6-keto-cyclohexen-1-yl)butylidene]ammonium Formula: C22H32NO4+ MolecularWeight: 374.49378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-4-8-17(22-18(24)9-7-10-19(22)25)23-14-13-16-11-12-20(26-5-2)21(15-16)27-6-3/h11-12,15,24H,4-10,13-14H2,1-3H3/p+1/b23-17+