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

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[3-(1-benzimidazolyl)propyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 3-(benzimidazol-1-yl)propyl-(3-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)N=CN2CCCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCCNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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