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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: homoveratryl-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O5/c1-14(20(24)21-16-7-5-6-8-17(16)23(25)26)22(2)12-11-15-9-10-18(27-3)19(13-15)28-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,24)/p+1/t14-/m1/s1