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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3S/c1-12-8-7-9-15(13(12)2)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