2-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethylazanium

Systemtic Name: 2-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethylazanium Openeye Name: 2-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethylammonium CAS Name: 2-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]ethylammonium IUPAC Name: 2-[5,6-dimethoxy-1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethylazanium Traditional Name: 2-[5,6-dimethoxy-1-(4-nitrobenzyl)benzimidazol-2-yl]ethylammonium Formula: C18H21N4O4+ MolecularWeight: 357.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])CC[NH3+])OC

InChI

InChI=1S/C18H20N4O4/c1-25-16-9-14-15(10-17(16)26-2)21(18(20-14)7-8-19)11-12-3-5-13(6-4-12)22(23)24/h3-6,9-10H,7-8,11,19H2,1-2H3/p+1