N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-4-(1-imidazolyl)benzamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-4-imidazol-1-ylbenzamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-4-imidazol-1-yl-benzamide Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NC(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NC(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H23FN4O/c23-21-6-2-1-4-18(21)14-26-12-3-5-19(15-26)25-22(28)17-7-9-20(10-8-17)27-13-11-24-16-27/h1-2,4,6-11,13,16,19H,3,5,12,14-15H2,(H,25,28)/p+1/t19-/m0/s1