3-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide chloride

Systemtic Name: 3-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide chloride Openeye Name: 3-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide chloride CAS Name: 3-nitro-N-(2-pyridin-1-iumylmethyl)benzamide chloride IUPAC Name: 3-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide chloride Traditional Name: 3-nitro-N-(pyridin-1-ium-2-ylmethyl)benzamide chloride Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H11N3O3.ClH/c17-13(15-9-11-5-1-2-7-14-11)10-4-3-6-12(8-10)16(18)19;/h1-8H,9H2,(H,15,17);1H