3-nitro-N-(phenylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-(phenylmethyl)pyridin-1-ium-2-amine Openeye Name: N-benzyl-3-nitro-pyridin-1-ium-2-amine CAS Name: 3-nitro-N-(phenylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-3-nitropyridin-1-ium-2-amine Traditional Name: benzyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C12H12N3O2+ MolecularWeight: 230.24258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O2/c16-15(17)11-7-4-8-13-12(11)14-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,13,14)/p+1