N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[methyl-(3-nitro-2-pyridin-1-iumyl)amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide Formula: C15H16BrN4O3+ MolecularWeight: 380.21654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN4O3/c1-10-8-11(16)5-6-12(10)18-14(21)9-19(2)15-13(20(22)23)4-3-7-17-15/h3-8H,9H2,1-2H3,(H,18,21)/p+1