1-(3-chloranyl-2-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C17H27ClN3S+ MolecularWeight: 340.93438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C17H26ClN3S/c1-11-13(18)7-6-8-14(11)20-15(22)19-12-9-16(2,3)21-17(4,5)10-12/h6-8,12,21H,9-10H2,1-5H3,(H2,19,20,22)/p+1