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

Systemtic Name: 3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(p-tolyl)-1-(4-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(p-tolyl)-1-(4-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=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

InChI

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