2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium Traditional Name: homoveratryl-[(1R)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl]-methyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O4/c1-15(22(27)25-14-21(26)23-17-7-5-6-8-18(17)25)24(2)12-11-16-9-10-19(28-3)20(13-16)29-4/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,26)/p+1/t15-/m1/s1