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

Systemtic Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]propanamide Openeye Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]propanamide CAS Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]propanamide IUPAC Name: N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]propanamide Traditional Name: N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]propionamide Formula: C20H27FN3OS+ MolecularWeight: 376.511283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3OS/c1-3-19(25)22-15(2)20(18-5-4-14-26-18)24-12-10-23(11-13-24)17-8-6-16(21)7-9-17/h4-9,14-15,20H,3,10-13H2,1-2H3,(H,22,25)/p+1/t15-,20-/m1/s1