2-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]ethyl-trimethyl-azanium

Systemtic Name: 2-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]ethyl-trimethyl-azanium Openeye Name: 2-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]ethyl-trimethyl-ammonium CAS Name: 2-[2-(1-benzotriazolylmethyl)-5-nitro-1-benzimidazolyl]ethyl-trimethylammonium IUPAC Name: 2-[2-(benzotriazol-1-ylmethyl)-5-nitrobenzimidazol-1-yl]ethyl-trimethylazanium Traditional Name: 2-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]ethyl-trimethyl-ammonium Formula: C19H22N7O2+ MolecularWeight: 380.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[N+](C)(C)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H22N7O2/c1-26(2,3)11-10-23-17-9-8-14(25(27)28)12-16(17)20-19(23)13-24-18-7-5-4-6-15(18)21-22-24/h4-9,12H,10-11,13H2,1-3H3/q+1