N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-pyrazole-4-carboxamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O/c1-27(22-11-7-13-28(18-22)16-20-10-5-6-12-23(20)25)24(30)21-14-26-29(17-21)15-19-8-3-2-4-9-19/h2-6,8-10,12,14,17,22H,7,11,13,15-16,18H2,1H3/p+1/t22-/m0/s1