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

Systemtic Name: 3-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(4-phenoxyphenyl)-1-(4-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(4-phenoxyphenyl)-1-(pyridin-4-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(4-phenoxyphenyl)-1-(4-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C28H35N4OS+ MolecularWeight: 475.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C28H34N4OS/c1-27(2)18-23(19-28(3,4)31-27)32(20-21-14-16-29-17-15-21)26(34)30-22-10-12-25(13-11-22)33-24-8-6-5-7-9-24/h5-17,23,31H,18-20H2,1-4H3,(H,30,34)/p+1