2-[(E)-2-(1-ethyl-3-phenyl-benzimidazol-1-ium-2-yl)ethenyl]-4-nitro-phenol; perchloric acid

Systemtic Name: 2-[(E)-2-(1-ethyl-3-phenyl-benzimidazol-1-ium-2-yl)ethenyl]-4-nitro-phenol; perchloric acid Openeye Name: 2-[(E)-2-(1-ethyl-3-phenyl-benzimidazol-1-ium-2-yl)vinyl]-4-nitro-phenol; perchloric acid CAS Name: 2-[(E)-2-(1-ethyl-3-phenyl-2-benzimidazol-1-iumyl)ethenyl]-4-nitrophenol; perchloric acid IUPAC Name: 2-[(E)-2-(1-ethyl-3-phenylbenzimidazol-1-ium-2-yl)ethenyl]-4-nitrophenol; perchloric acid Traditional Name: 2-[(E)-2-(1-ethyl-3-phenyl-benzimidazol-1-ium-2-yl)vinyl]-4-nitro-phenol; perchloric acid Formula: C23H21ClN3O7+ MolecularWeight: 486.88174

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)C=CC4=C(C=CC(=C4)[N+](=O)[O-])O.OCl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(N(C2=CC=CC=C21)C3=CC=CC=C3)/C=C/C4=C(C=CC(=C4)[N+](=O)[O-])O.OCl(=O)(=O)=O

InChI

InChI=1S/C23H19N3O3.ClHO4/c1-2-24-20-10-6-7-11-21(20)25(18-8-4-3-5-9-18)23(24)15-12-17-16-19(26(28)29)13-14-22(17)27;2-1(3,4)5/h3-16H,2H2,1H3;(H,2,3,4,5)/p+1