N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-3-methyl-butanamide

Systemtic Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-3-methyl-butanamide Openeye Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-3-methyl-butanamide CAS Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide IUPAC Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]-3-methylbutanamide Traditional Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-3-methyl-butyramide Formula: C22H31FN3OS+ MolecularWeight: 404.564443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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)CC(C)C

InChI

InChI=1S/C22H30FN3OS/c1-16(2)15-21(27)24-17(3)22(20-5-4-14-28-20)26-12-10-25(11-13-26)19-8-6-18(23)7-9-19/h4-9,14,16-17,22H,10-13,15H2,1-3H3,(H,24,27)/p+1/t17-,22-/m1/s1