1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2,4,6-triphenyl-pyridin-1-ium

Systemtic Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2,4,6-triphenyl-pyridin-1-ium Openeye Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2,4,6-triphenyl-pyridin-1-ium CAS Name: 1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-2,4,6-triphenylpyridin-1-ium IUPAC Name: 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-2,4,6-triphenylpyridin-1-ium Traditional Name: 1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2,4,6-triphenyl-pyridin-1-ium Formula: C29H25N4O2+ MolecularWeight: 461.5344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25N4O2/c1-22-30-21-29(33(34)35)31(22)17-18-32-27(24-13-7-3-8-14-24)19-26(23-11-5-2-6-12-23)20-28(32)25-15-9-4-10-16-25/h2-16,19-21H,17-18H2,1H3/q+1