(2S)-N-[(2S)-2-phenylpropyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(2S)-2-phenylpropyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(2S)-2-phenylpropyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]propanamide IUPAC Name: (2S)-N-[(2S)-2-phenylpropyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[(2S)-2-phenylpropyl]-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

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