2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate

Systemtic Name: 2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate Openeye Name: 2-[4-[1-(2-benzyloxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[4-[1-(2-phenylmethoxyethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-[4-[1-(2-benzoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl ester Formula: C25H28N2O3+2 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCOCC3=CC=CC=C3

Isomeric SMILES

CC(=C)C(=O)OCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3/c1-21(2)25(28)30-19-17-27-14-10-24(11-15-27)23-8-12-26(13-9-23)16-18-29-20-22-6-4-3-5-7-22/h3-15H,1,16-20H2,2H3/q+2