3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(2-thenyl)piperazin-1-ium-1-yl]propylammonium Formula: C12H23N3S+2 MolecularWeight: 241.39612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC[NH3+])CC2=CC=CS2

Isomeric SMILES

C1CN(CC[NH+]1CCC[NH3+])CC2=CC=CS2

InChI

InChI=1S/C12H21N3S/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h1,3,10H,2,4-9,11,13H2/p+2