N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-piperonylamide Formula: C23H28FN2O3+ MolecularWeight: 399.478423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27FN2O3/c1-25(23(27)19-5-6-21-22(14-19)29-16-28-21)15-18-8-11-26(12-9-18)10-7-17-3-2-4-20(24)13-17/h2-6,13-14,18H,7-12,15-16H2,1H3/p+1