N-(2,5-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[methyl-(3-nitro-2-pyridin-1-iumyl)amino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide Formula: C16H19N4O3+ MolecularWeight: 315.34706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-11-6-7-12(2)13(9-11)18-15(21)10-19(3)16-14(20(22)23)5-4-8-17-16/h4-9H,10H2,1-3H3,(H,18,21)/p+1