N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-piperonylamide Formula: C25H26FN4O3+ MolecularWeight: 449.497343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H25FN4O3/c26-20-4-6-21(7-5-20)29-10-12-30(13-11-29)22(19-2-1-9-27-15-19)16-28-25(31)18-3-8-23-24(14-18)33-17-32-23/h1-9,14-15,22H,10-13,16-17H2,(H,28,31)/p+1/t22-/m0/s1