N-[(1S)-1-phenylbutyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-2-7-18(17-8-4-3-5-9-17)22-20(25)16-23-11-13-24(14-12-23)21(26)19-10-6-15-27-19/h3-6,8-10,15,18H,2,7,11-14,16H2,1H3,(H,22,25)/p+1/t18-/m0/s1