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

Systemtic Name: 3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(4-phenoxyphenyl)-1-(3-pyridinylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(4-phenoxyphenyl)-1-(3-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=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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