N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-fluoranyl-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-fluoro-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-fluorobenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-fluoro-benzamide Formula: C26H27FN3O3+ MolecularWeight: 448.509283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC(=CC=C2)F)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CNC(=O)C2=CC(=CC=C2)F)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H26FN3O3/c27-21-6-4-5-20(15-21)26(31)28-17-23(19-9-10-24-25(16-19)33-18-32-24)30-13-11-29(12-14-30)22-7-2-1-3-8-22/h1-10,15-16,23H,11-14,17-18H2,(H,28,31)/p+1/t23-/m0/s1