1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C15H23ClN3S+ MolecularWeight: 312.88122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC[NH+]2CCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC[NH+]2CCCC2)C

InChI

InChI=1S/C15H22ClN3S/c1-11-9-12(2)14(13(16)10-11)18-15(20)17-5-8-19-6-3-4-7-19/h9-10H,3-8H2,1-2H3,(H2,17,18,20)/p+1