butyl 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: butyl 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: butyl 2-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid butyl ester IUPAC Name: butyl 2-[4-[(E)-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]acetic acid butyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCOC(=O)C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H27N2O2/c1-4-5-16-25-21(24)17-23-14-12-19(13-15-23)7-6-18-8-10-20(11-9-18)22(2)3/h6-15H,4-5,16-17H2,1-3H3/q+1