3,5-dinitro-N-(3-pyridin-1-ium-1-ylpropyl)benzamide bromide

Systemtic Name: 3,5-dinitro-N-(3-pyridin-1-ium-1-ylpropyl)benzamide bromide Openeye Name: 3,5-dinitro-N-(3-pyridin-1-ium-1-ylpropyl)benzamide bromide CAS Name: 3,5-dinitro-N-[3-(1-pyridin-1-iumyl)propyl]benzamide bromide IUPAC Name: 3,5-dinitro-N-(3-pyridin-1-ium-1-ylpropyl)benzamide bromide Traditional Name: 3,5-dinitro-N-(3-pyridin-1-ium-1-ylpropyl)benzamide bromide Formula: C15H15BrN4O5 MolecularWeight: 411.2074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5.BrH/c20-15(16-5-4-8-17-6-2-1-3-7-17)12-9-13(18(21)22)11-14(10-12)19(23)24;/h1-3,6-7,9-11H,4-5,8H2;1H