N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-4-fluoro-benzamide CAS Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-4-fluorobenzamide IUPAC Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[1-[2-keto-2-(piperonylamino)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H25FN3O4+ MolecularWeight: 414.450003

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24FN3O4/c23-17-4-2-16(3-5-17)22(28)25-18-7-9-26(10-8-18)13-21(27)24-12-15-1-6-19-20(11-15)30-14-29-19/h1-6,11,18H,7-10,12-14H2,(H,24,27)(H,25,28)/p+1