[(3S)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-(5-fluoro-2-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C21H22FN3OS/c1-15-7-11-27-21(15)20(26)16-4-2-9-24(13-16)14-17-12-18(22)5-6-19(17)25-10-3-8-23-25/h3,5-8,10-12,16H,2,4,9,13-14H2,1H3/p+1/t16-/m0/s1