N-(tert-butylcarbamoyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C16H27ClN4O2S+2 MolecularWeight: 374.92918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C16H25ClN4O2S/c1-16(2,3)19-15(23)18-14(22)11-21-8-6-20(7-9-21)10-12-4-5-13(17)24-12/h4-5H,6-11H2,1-3H3,(H2,18,19,22,23)/p+2