N-[(1R)-1-(4-methylphenyl)propyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(p-tolyl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(p-tolyl)propyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-3-18(17-8-6-16(2)7-9-17)22-20(25)15-23-10-12-24(13-11-23)21(26)19-5-4-14-27-19/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1