1-(4-fluorophenyl)-3,5-dimethyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O/c1-17-23(18(2)29(27-17)22-12-10-20(25)11-13-22)24(30)26-21-9-6-14-28(16-21)15-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-16H2,1-2H3,(H,26,30)/p+1/t21-/m0/s1