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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propanamide bromide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propanamide bromide CAS Name: N-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)propanamide bromide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-ylpropanamide bromide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-propionamide bromide Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3.BrH/c1-11-6-7-13(10-14(11)18(20)21)16-15(19)12(2)17-8-4-3-5-9-17;/h3-10,12H,1-2H3;1H