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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; methyl sulfate Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; methyl sulfate CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-methylpiperidin-1-ium; methyl sulfate IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-3-methylpiperidin-1-ium; methyl sulfate Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methyl-piperidin-1-ium; methyl sulfate Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N3.CH4O4S/c1-14-8-7-11-20(13-14)17-12-16(18(2)19(17)3)15-9-5-4-6-10-15;1-5-6(2,3)4/h4-6,9-10,12,14H,7-8,11,13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1