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

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

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C3=CC=CC=[N+]3C

InChI

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