1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium bromide

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium bromide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium bromide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-methylpiperidin-1-ium bromide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-3-methylpiperidin-1-ium bromide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methyl-piperidin-1-ium bromide Formula: C17H24BrN3 MolecularWeight: 350.29656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+](=C2C=C(N(N2C)C)C3=CC=CC=C3)C1.[Br-]

Isomeric SMILES

CC1CCC[N+](=C2C=C(N(N2C)C)C3=CC=CC=C3)C1.[Br-]

InChI

InChI=1S/C17H24N3.BrH/c1-14-8-7-11-20(13-14)17-12-16(18(2)19(17)3)15-9-5-4-6-10-15;/h4-6,9-10,12,14H,7-8,11,13H2,1-3H3;1H/q+1;/p-1