4-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-1-methyl-pyridin-1-ium

Systemtic Name: 4-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]-1-methyl-pyridin-1-ium Formula: C20H22N3+ MolecularWeight: 304.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC3=CC=[N+](C=C3)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C3=CC=[N+](C=C3)C

InChI

InChI=1S/C20H22N3/c1-16-20(10-9-18-11-13-22(3)14-12-18)17(2)23(21-16)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/q+1