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

Systemtic Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-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-pyrrolidin-1-iumyl]-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O/c1-16-22(17(2)28(26-16)21-10-8-19(24)9-11-21)23(29)25-20-12-13-27(15-20)14-18-6-4-3-5-7-18/h3-11,20H,12-15H2,1-2H3,(H,25,29)/p+1/t20-/m0/s1