ethyl 2-[3-(diphenylmethyl)pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-(diphenylmethyl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-(3-benzhydrylpyridin-1-ium-1-yl)acetate bromide CAS Name: 2-[3-(diphenylmethyl)-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-benzhydrylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-(3-benzhydrylpyridin-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C22H22BrNO2 MolecularWeight: 412.31958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H22NO2.BrH/c1-2-25-21(24)17-23-15-9-14-20(16-23)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-16,22H,2,17H2,1H3;1H/q+1;/p-1