N-[3-(1H-benzimidazol-2-yl)propyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-5-nitropyridin-1-ium-2-amine Traditional Name: 3-(1H-benzimidazol-2-yl)propyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C15H16N5O2+ MolecularWeight: 298.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O2/c21-20(22)11-7-8-14(17-10-11)16-9-3-6-15-18-12-4-1-2-5-13(12)19-15/h1-2,4-5,7-8,10H,3,6,9H2,(H,16,17)(H,18,19)/p+1