(2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2R)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H27N3O2S/c1-16(21(26)22-10-9-20-4-3-15-27-20)23-11-13-24(14-12-23)19-7-5-18(6-8-19)17(2)25/h3-8,15-16H,9-14H2,1-2H3,(H,22,26)/p+1/t16-/m1/s1