N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-nitro-pyridin-1-ium-4-amine

Systemtic Name: N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-nitro-pyridin-1-ium-4-amine Openeye Name: N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-nitro-pyridin-1-ium-4-amine CAS Name: N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-nitro-4-pyridin-1-iumamine IUPAC Name: N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-nitropyridin-1-ium-4-amine Traditional Name: [3-(2-imidazolin-2-yl)phenyl]-(3-nitropyridin-1-ium-4-yl)amine Formula: C14H14N5O2+ MolecularWeight: 284.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC(=CC=C2)NC3=C(C=[NH+]C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN=C(N1)C2=CC(=CC=C2)NC3=C(C=[NH+]C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O2/c20-19(21)13-9-15-5-4-12(13)18-11-3-1-2-10(8-11)14-16-6-7-17-14/h1-5,8-9H,6-7H2,(H,15,18)(H,16,17)/p+1