N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazol-1-yl-propanamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazol-1-yl-propanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazol-1-yl-propanamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-3-(1-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazol-1-ylpropanamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-3-pyrazol-1-yl-propionamide Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CCN3C=CC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C19H25FN4O/c1-22(19(25)9-13-24-12-5-10-21-24)17-7-4-11-23(15-17)14-16-6-2-3-8-18(16)20/h2-3,5-6,8,10,12,17H,4,7,9,11,13-15H2,1H3/p+1/t17-/m0/s1