N-tert-butyl-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C18H27N3O3S/c1-18(2,3)19-16(23)13-20-8-10-21(11-9-20)17(24)7-6-14(22)15-5-4-12-25-15/h4-5,12H,6-11,13H2,1-3H3,(H,19,23)/p+1