N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-3-[(5-nitropyridin-2-yl)amino]propanamide

Systemtic Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-3-[(5-nitropyridin-2-yl)amino]propanamide Openeye Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-3-[(5-nitro-2-pyridyl)amino]propanamide CAS Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-3-[(5-nitro-2-pyridinyl)amino]propanamide IUPAC Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-3-[(5-nitropyridin-2-yl)amino]propanamide Traditional Name: N-[2-(1H-imidazol-3-ium-5-yl)ethyl]-3-[(5-nitro-2-pyridyl)amino]propionamide Formula: C13H17N6O3+ MolecularWeight: 305.31248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])NCCC(=O)NCCC2=C[NH+]=CN2

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])NCCC(=O)NCCC2=C[NH+]=CN2

InChI

InChI=1S/C13H16N6O3/c20-13(16-5-3-10-7-14-9-18-10)4-6-15-12-2-1-11(8-17-12)19(21)22/h1-2,7-9H,3-6H2,(H,14,18)(H,15,17)(H,16,20)/p+1