2-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium

Systemtic Name: 2-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 2-[(E)-2-[4-methoxy-3-(1-pyrazolylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 2-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium Formula: C19H20N3O+ MolecularWeight: 306.3816

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC(=C(C=C2)OC)CN3C=CC=N3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC(=C(C=C2)OC)CN3C=CC=N3

InChI

InChI=1S/C19H20N3O/c1-21-12-4-3-6-18(21)9-7-16-8-10-19(23-2)17(14-16)15-22-13-5-11-20-22/h3-14H,15H2,1-2H3/q+1/b9-7+