N-[(4-nitroimidazol-1-yl)methyl]pyridin-1-ium-4-amine

Systemtic Name: N-[(4-nitroimidazol-1-yl)methyl]pyridin-1-ium-4-amine Openeye Name: N-[(4-nitroimidazol-1-yl)methyl]pyridin-1-ium-4-amine CAS Name: N-[(4-nitro-1-imidazolyl)methyl]-4-pyridin-1-iumamine IUPAC Name: N-[(4-nitroimidazol-1-yl)methyl]pyridin-1-ium-4-amine Traditional Name: (4-nitroimidazol-1-yl)methyl-pyridin-1-ium-4-yl-amine Formula: C9H10N5O2+ MolecularWeight: 220.208

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1NCN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1NCN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O2/c15-14(16)9-5-13(7-12-9)6-11-8-1-3-10-4-2-8/h1-5,7H,6H2,(H,10,11)/p+1