N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-3-(1-methyl-2-pyrrolyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide Formula: C22H27FN5O+ MolecularWeight: 396.481083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NNC(=C2)C(=O)N(C)C3CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

CN1C=CC=C1C2=NNC(=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H26FN5O/c1-26-11-6-10-21(26)19-13-20(25-24-19)22(29)27(2)17-8-5-12-28(15-17)14-16-7-3-4-9-18(16)23/h3-4,6-7,9-11,13,17H,5,8,12,14-15H2,1-2H3,(H,24,25)/p+1/t17-/m0/s1