[(1S)-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(homoveratrylamino)-2-keto-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H33N3O3+2 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-25(2)19(18-8-6-5-7-9-18)15-23-16-22(26)24-13-12-17-10-11-20(27-3)21(14-17)28-4/h5-11,14,19,23H,12-13,15-16H2,1-4H3,(H,24,26)/p+2/t19-/m1/s1