ethyl 2-[5-(4-chlorophenyl)-2,3,4-triphenyl-pyrazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-chlorophenyl)-2,3,4-triphenyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[5-(4-chlorophenyl)-2,3,4-triphenyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[5-(4-chlorophenyl)-2,3,4-triphenyl-1-pyrazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-chlorophenyl)-2,3,4-triphenylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[5-(4-chlorophenyl)-2,3,4-triphenyl-pyrazol-1-ium-1-yl]acetic acid ethyl ester Formula: C31H26ClN2O2+ MolecularWeight: 494.00334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C[N+]1=C(C(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H26ClN2O2/c1-2-36-28(35)22-33-30(25-18-20-26(32)21-19-25)29(23-12-6-3-7-13-23)31(24-14-8-4-9-15-24)34(33)27-16-10-5-11-17-27/h3-21H,2,22H2,1H3/q+1