2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-fluorobenzyl)acetamide Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23FN4O/c22-17-9-7-15(8-10-17)12-23-20(27)14-26-11-3-4-16(13-26)21-24-18-5-1-2-6-19(18)25-21/h1-2,5-10,16H,3-4,11-14H2,(H,23,27)(H,24,25)/p+1/t16-/m0/s1