N-(3-imidazol-1-ylpropyl)-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[3-(1-imidazolyl)propyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-nitropyridin-1-ium-2-amine Traditional Name: 3-imidazol-1-ylpropyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C11H14N5O2+ MolecularWeight: 248.26116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O2/c17-16(18)10-3-1-4-13-11(10)14-5-2-7-15-8-6-12-9-15/h1,3-4,6,8-9H,2,5,7H2,(H,13,14)/p+1