2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-isobutyrylpiperazin-1-ium-1-yl)-N-[(1R)-1-(2-thienyl)ethyl]acetamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C16H25N3O2S/c1-12(2)16(21)19-8-6-18(7-9-19)11-15(20)17-13(3)14-5-4-10-22-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,17,20)/p+1/t13-/m1/s1