ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate

Systemtic Name: ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate Openeye Name: ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate CAS Name: 2,2-dimethyl-4-(2,4,6-triphenyl-1-pyridin-1-iumyl)butanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butanoate Traditional Name: 2,2-dimethyl-4-(2,4,6-triphenylpyridin-1-ium-1-yl)butyric acid ethyl ester Formula: C31H32NO2+ MolecularWeight: 450.59128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C)(C)CC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H32NO2/c1-4-34-30(33)31(2,3)20-21-32-28(25-16-10-6-11-17-25)22-27(24-14-8-5-9-15-24)23-29(32)26-18-12-7-13-19-26/h5-19,22-23H,4,20-21H2,1-3H3/q+1