1-methyl-4-(2-thiophen-2-ylethylamino)piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-methyl-4-(2-thiophen-2-ylethylamino)piperidin-1-ium-4-carbonitrile Openeye Name: 1-methyl-4-[2-(2-thienyl)ethylamino]piperidin-1-ium-4-carbonitrile CAS Name: 1-methyl-4-(2-thiophen-2-ylethylamino)-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-methyl-4-(2-thiophen-2-ylethylamino)piperidin-1-ium-4-carbonitrile Traditional Name: 1-methyl-4-[2-(2-thienyl)ethylamino]piperidin-1-ium-4-carbonitrile Formula: C13H20N3S+ MolecularWeight: 250.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#N)NCCC2=CC=CS2

Isomeric SMILES

C[NH+]1CCC(CC1)(C#N)NCCC2=CC=CS2

InChI

InChI=1S/C13H19N3S/c1-16-8-5-13(11-14,6-9-16)15-7-4-12-3-2-10-17-12/h2-3,10,15H,4-9H2,1H3/p+1