ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(3-fluorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29FN3O2+ MolecularWeight: 374.472263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H28FN3O2/c1-4-27-20(26)21(13-17-6-5-7-19(22)12-17)8-10-25(11-9-21)15-18-14-24(3)23-16(18)2/h5-7,12,14H,4,8-11,13,15H2,1-3H3/p+1