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

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide Formula: C23H38FN3O+2 MolecularWeight: 391.565723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)C3CC[NH+](CC3)C

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)C3CC[NH+](CC3)C

InChI

InChI=1S/C23H36FN3O/c1-3-27(23(28)21-10-13-25(2)14-11-21)18-20-7-5-12-26(17-20)15-9-19-6-4-8-22(24)16-19/h4,6,8,16,20-21H,3,5,7,9-15,17-18H2,1-2H3/p+2/t20-/m0/s1