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

Systemtic Name: 4-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-[4-methoxy-3-(1-pyrazolylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(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=C(C=C1)C=CC2=CC(=C(C=C2)OC)CN3C=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C19H20N3O/c1-21-12-8-16(9-13-21)4-5-17-6-7-19(23-2)18(14-17)15-22-11-3-10-20-22/h3-14H,15H2,1-2H3/q+1/b5-4+