3-nitro-N-(phenylmethyl)pyridin-1-ium-4-amine

Systemtic Name: 3-nitro-N-(phenylmethyl)pyridin-1-ium-4-amine Openeye Name: N-benzyl-3-nitro-pyridin-1-ium-4-amine CAS Name: 3-nitro-N-(phenylmethyl)-4-pyridin-1-iumamine IUPAC Name: N-benzyl-3-nitropyridin-1-ium-4-amine Traditional Name: benzyl-(3-nitropyridin-1-ium-4-yl)amine Formula: C12H12N3O2+ MolecularWeight: 230.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=[NH+]C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=[NH+]C=C2)[N+](=O)[O-]

InChI

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