3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-propan-2-yl-pyridin-1-ium bromide

Systemtic Name: 3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-propan-2-yl-pyridin-1-ium bromide Openeye Name: 3-(5-benzyl-1H-pyrazol-3-yl)-1-isopropyl-pyridin-1-ium bromide CAS Name: 3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-propan-2-ylpyridin-1-ium bromide IUPAC Name: 3-(5-benzyl-1H-pyrazol-3-yl)-1-propan-2-ylpyridin-1-ium bromide Traditional Name: 3-(5-benzyl-1H-pyrazol-3-yl)-1-isopropyl-pyridin-1-ium bromide Formula: C18H20BrN3 MolecularWeight: 358.2755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC=CC(=C1)C2=NNC(=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)[N+]1=CC=CC(=C1)C2=NNC(=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H20N3.BrH/c1-14(2)21-10-6-9-16(13-21)18-12-17(19-20-18)11-15-7-4-3-5-8-15;/h3-10,12-14H,11H2,1-2H3,(H,19,20);1H/q+1;/p-1