ethyl 1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H34N3O4+ MolecularWeight: 416.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CCOC

InChI

InChI=1S/C23H33N3O4/c1-5-30-22(28)23(13-16-29-4)11-14-25(15-12-23)17-20-18(2)24(3)26(21(20)27)19-9-7-6-8-10-19/h6-10H,5,11-17H2,1-4H3/p+1