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

Systemtic Name: 3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(4-methoxyphenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(4-methoxyphenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C23H33N4OS+ MolecularWeight: 413.59932

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4OS/c1-22(2)13-19(14-23(3,4)26-22)27(16-17-7-6-12-24-15-17)21(29)25-18-8-10-20(28-5)11-9-18/h6-12,15,19,26H,13-14,16H2,1-5H3,(H,25,29)/p+1