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

Systemtic Name: 3-(4-ethanoylphenyl)-1-(pyridin-2-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(4-acetylphenyl)-1-(2-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(4-acetylphenyl)-1-(2-pyridinylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(4-acetylphenyl)-1-(pyridin-2-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(4-acetylphenyl)-1-(2-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=N2)C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=N2)C3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C24H32N4OS/c1-17(29)18-9-11-19(12-10-18)26-22(30)28(16-20-8-6-7-13-25-20)21-14-23(2,3)27-24(4,5)15-21/h6-13,21,27H,14-16H2,1-5H3,(H,26,30)/p+1