[2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]-(2-hydroxyethyl)-dimethyl-azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]-(2-hydroxyethyl)-dimethyl-azanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitro-phenyl]-(2-hydroxyethyl)-dimethyl-ammonium CAS Name: [2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-nitrophenyl]-(2-hydroxyethyl)-dimethylammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-nitrophenyl]-(2-hydroxyethyl)-dimethylazanium Traditional Name: 2-hydroxyethyl-dimethyl-[4-nitro-2-(veratrylcarbamoyl)phenyl]ammonium Formula: C20H26N3O6+ MolecularWeight: 404.43694

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCO)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[N+](C)(CCO)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O6/c1-23(2,9-10-24)17-7-6-15(22(26)27)12-16(17)20(25)21-13-14-5-8-18(28-3)19(11-14)29-4/h5-8,11-12,24H,9-10,13H2,1-4H3/p+1