ethyl 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carboxylate Openeye Name: ethyl 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carboxylate CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-2-carboxylate Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCC[N+]1=C2C=C(N(N2C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H26N3O2/c1-4-24-19(23)16-12-8-9-13-22(16)18-14-17(20(2)21(18)3)15-10-6-5-7-11-15/h5-7,10-11,14,16H,4,8-9,12-13H2,1-3H3/q+1