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

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-2-fluoro-benzamide CAS Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-fluorobenzamide IUPAC Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-fluorobenzamide Traditional Name: N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-fluoro-benzamide Formula: C21H23FN3O4+ MolecularWeight: 400.423423

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2F)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2F)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22FN3O4/c22-17-4-2-1-3-16(17)21(27)24-14-7-9-25(10-8-14)12-20(26)23-15-5-6-18-19(11-15)29-13-28-18/h1-6,11,14H,7-10,12-13H2,(H,23,26)(H,24,27)/p+1