2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]methyl-(2-thenoyl)amino]ethyl-dimethyl-ammonium Formula: C22H32FN3OS+2 MolecularWeight: 405.572383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H30FN3OS/c1-24(2)12-13-26(22(27)21-10-6-14-28-21)16-18-7-5-11-25(15-18)17-19-8-3-4-9-20(19)23/h3-4,6,8-10,14,18H,5,7,11-13,15-17H2,1-2H3/p+2/t18-/m0/s1