phenethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate

Systemtic Name: phenethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Openeye Name: phenethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoic acid phenethyl ester IUPAC Name: phenethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid phenethyl ester Formula: C38H30NO2+ MolecularWeight: 532.6503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=C(C=C2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H30NO2/c40-38(41-26-25-29-13-5-1-6-14-29)33-21-23-35(24-22-33)39-36(31-17-9-3-10-18-31)27-34(30-15-7-2-8-16-30)28-37(39)32-19-11-4-12-20-32/h1-24,27-28H,25-26H2/q+1