N-(phenylmethyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1-oxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c25-20(22-16-18-6-2-1-3-7-18)17-23-11-13-24(14-12-23)21(26)10-4-8-19-9-5-15-27-19/h1-3,5-7,9,15H,4,8,10-14,16-17H2,(H,22,25)/p+1