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

Systemtic Name: 3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(o-tolyl)-1-(2-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2-methylphenyl)-1-(2-pyridinylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(o-tolyl)-1-(2-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C23H33N4S+ MolecularWeight: 397.59992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=N2)C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2=CC=CC=N2)C3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C23H32N4S/c1-17-10-6-7-12-20(17)25-21(28)27(16-18-11-8-9-13-24-18)19-14-22(2,3)26-23(4,5)15-19/h6-13,19,26H,14-16H2,1-5H3,(H,25,28)/p+1