N-tert-butyl-2-[4-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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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=C(S2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H26ClN3O3S/c1-18(2,3)20-16(24)12-21-8-10-22(11-9-21)17(25)7-4-13(23)14-5-6-15(19)26-14/h5-6H,4,7-12H2,1-3H3,(H,20,24)/p+1