1-ethyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide

Systemtic Name: 1-ethyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide Openeye Name: 1-ethyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide CAS Name: 1-ethyl-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-ethyl-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carbothioamide Traditional Name: 1-ethyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide Formula: C13H27N3S+2 MolecularWeight: 257.43858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)(C(=S)N)[NH+]2CCCCC2

Isomeric SMILES

CC[NH+]1CCC(CC1)(C(=S)N)[NH+]2CCCCC2

InChI

InChI=1S/C13H25N3S/c1-2-15-10-6-13(7-11-15,12(14)17)16-8-4-3-5-9-16/h2-11H2,1H3,(H2,14,17)/p+2