N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-methyl-propanamide

Systemtic Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-methyl-propanamide Openeye Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-2-methyl-propanamide CAS Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide IUPAC Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide Traditional Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-2-methyl-propionamide Formula: C21H29FN3OS+ MolecularWeight: 390.537863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C)C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F)NC(=O)C(C)C

InChI

InChI=1S/C21H28FN3OS/c1-15(2)21(26)23-16(3)20(19-5-4-14-27-19)25-12-10-24(11-13-25)18-8-6-17(22)7-9-18/h4-9,14-16,20H,10-13H2,1-3H3,(H,23,26)/p+1/t16-,20-/m1/s1