(3S)-N,N-diethyl-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H30FN4O2+ MolecularWeight: 389.486903

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H29FN4O2/c1-4-26(5-2)21(27)16-7-6-10-25(13-16)14-17-12-23-24-20(17)15-8-9-19(28-3)18(22)11-15/h8-9,11-12,16H,4-7,10,13-14H2,1-3H3,(H,23,24)/p+1/t16-/m0/s1