ethyl 2-[3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octan-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(diphenylmethylidene)-1-azoniabicyclo[2.2.2]octan-1-yl]ethanoate Openeye Name: ethyl 2-(3-benzhydrylidenequinuclidin-1-ium-1-yl)acetate CAS Name: 2-[3-(diphenylmethylene)-1-azoniabicyclo[2.2.2]octan-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzhydrylidene-1-azoniabicyclo[2.2.2]octan-1-yl)acetate Traditional Name: 2-(3-benzhydrylidenequinuclidin-1-ium-1-yl)acetic acid ethyl ester Formula: C24H28NO2+ MolecularWeight: 362.48462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2

Isomeric SMILES

CCOC(=O)C[N+]12CCC(CC1)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2

InChI

InChI=1S/C24H28NO2/c1-2-27-23(26)18-25-15-13-19(14-16-25)22(17-25)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19H,2,13-18H2,1H3/q+1