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

Systemtic Name: 1-(4-phenoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(4-phenoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(4-phenoxyphenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(4-phenoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(4-phenoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3OS/c1-21(2)14-17(15-22(3,4)25-21)24-20(27)23-16-10-12-19(13-11-16)26-18-8-6-5-7-9-18/h5-13,17,25H,14-15H2,1-4H3,(H2,23,24,27)/p+1