N-(2-methyl-4-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propanamide bromide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propanamide bromide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propanamide bromide CAS Name: N-(2-methyl-4-nitrophenyl)-2-(3-methyl-1-pyridin-1-iumyl)propanamide bromide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(3-methylpyridin-1-ium-1-yl)propanamide bromide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-(3-methylpyridin-1-ium-1-yl)propionamide bromide Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C.[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C.[Br-]

InChI

InChI=1S/C16H17N3O3.BrH/c1-11-5-4-8-18(10-11)13(3)16(20)17-15-7-6-14(19(21)22)9-12(15)2;/h4-10,13H,1-3H3;1H