3-piperazin-4-ium-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-piperazin-4-ium-1-ylsulfonyl-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-(1-piperazin-4-iumylsulfonyl)-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-piperazin-4-ium-1-ylsulfonyl-N-[2-(2-thienyl)ethyl]propionamide Formula: C13H22N3O3S2+ MolecularWeight: 332.46208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCCC2=CC=CS2

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C13H21N3O3S2/c17-13(15-5-3-12-2-1-10-20-12)4-11-21(18,19)16-8-6-14-7-9-16/h1-2,10,14H,3-9,11H2,(H,15,17)/p+1