1-butyl-3-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-butyl-3-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-butyl-3-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-butyl-3-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-butyl-3-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-butyl-3-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C12H26N3S+ MolecularWeight: 244.41994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC[NH+]1CCCCC1

Isomeric SMILES

CCCCNC(=S)NCC[NH+]1CCCCC1

InChI

InChI=1S/C12H25N3S/c1-2-3-7-13-12(16)14-8-11-15-9-5-4-6-10-15/h2-11H2,1H3,(H2,13,14,16)/p+1