ethyl 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[N+](=C2C=C(N(N2C)C)C3=CC=CC=C3)CC1

Isomeric SMILES

CCOC(=O)C1CC[N+](=C2C=C(N(N2C)C)C3=CC=CC=C3)CC1

InChI

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