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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-methyl-piperidin-1-ium chloride hydrochloride Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-2-methyl-piperidin-1-ium chloride hydrochloride CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-2-methylpiperidin-1-ium chloride hydrochloride IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-2-methylpiperidin-1-ium chloride hydrochloride Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-2-methyl-piperidin-1-ium chloride hydrochloride Formula: C17H25Cl2N3 MolecularWeight: 342.3065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3.Cl.[Cl-]

Isomeric SMILES

CC1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3.Cl.[Cl-]

InChI

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