N-[(3R,4R)-1-[(4-fluorophenyl)methyl]-4-oxidanyl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3R,4R)-1-[(4-fluorophenyl)methyl]-4-oxidanyl-azepan-1-ium-3-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3R,4R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-azepan-1-ium-3-yl]benzamide CAS Name: N-[(3R,4R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-azepan-1-iumyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3R,4R)-1-[(4-fluorophenyl)methyl]-4-hydroxyazepan-1-ium-3-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3R,4R)-1-(4-fluorobenzyl)-4-hydroxy-azepan-1-ium-3-yl]benzamide Formula: C27H30FN2O3+ MolecularWeight: 449.537103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C[NH+](C1)CC2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@H]([C@@H](C[NH+](C1)CC2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C27H29FN2O3/c28-23-12-8-20(9-13-23)17-30-16-4-7-26(31)25(18-30)29-27(32)22-10-14-24(15-11-22)33-19-21-5-2-1-3-6-21/h1-3,5-6,8-15,25-26,31H,4,7,16-19H2,(H,29,32)/p+1/t25-,26-/m1/s1