3-(2-ethyl-3-methyl-phenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(2-ethyl-3-methyl-phenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(2-ethyl-3-methyl-phenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2-ethyl-3-methylphenyl)-1-(3-pyridinylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2-ethyl-3-methylphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(2-ethyl-3-methyl-phenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C25H37N4S+ MolecularWeight: 425.65308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC(=S)N(CC2=CN=CC=C2)C3CC([NH2+]C(C3)(C)C)(C)C)C

Isomeric SMILES

CCC1=C(C=CC=C1NC(=S)N(CC2=CN=CC=C2)C3CC([NH2+]C(C3)(C)C)(C)C)C

InChI

InChI=1S/C25H36N4S/c1-7-21-18(2)10-8-12-22(21)27-23(30)29(17-19-11-9-13-26-16-19)20-14-24(3,4)28-25(5,6)15-20/h8-13,16,20,28H,7,14-15,17H2,1-6H3,(H,27,30)/p+1