N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)acetamide Traditional Name: N-homoveratryl-2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)acetamide Formula: C16H21N4O5+ MolecularWeight: 349.36174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)[N+](=O)[O-])CC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=[N+](C(=CN1)[N+](=O)[O-])CC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H20N4O5/c1-11-18-9-16(20(22)23)19(11)10-15(21)17-7-6-12-4-5-13(24-2)14(8-12)25-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,21)/p+1