1-(2,5-dimethylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C18H30N3S+ MolecularWeight: 320.5159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C18H29N3S/c1-12-7-8-13(2)15(9-12)20-16(22)19-14-10-17(3,4)21-18(5,6)11-14/h7-9,14,21H,10-11H2,1-6H3,(H2,19,20,22)/p+1