N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2,5-dimethoxy-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-4-fluoro-benzamide CAS Name: N-[2,5-dimethoxy-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]-4-fluorobenzamide IUPAC Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-4-fluorobenzamide Traditional Name: N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-4-fluoro-benzamide Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OC)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OC)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C22H26FN3O4/c1-29-19-13-18(25-22(28)15-6-8-16(23)9-7-15)20(30-2)12-17(19)24-21(27)14-26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,24,27)(H,25,28)/p+1