3-(2-methylpropyl)-1-(phenylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(2-methylpropyl)-1-(phenylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-benzyl-3-isobutyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2-methylpropyl)-1-(phenylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-benzyl-3-(2-methylpropyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-benzyl-3-isobutyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C21H36N3S+ MolecularWeight: 362.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CC1=CC=CC=C1)C2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CC(C)CNC(=S)N(CC1=CC=CC=C1)C2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C21H35N3S/c1-16(2)14-22-19(25)24(15-17-10-8-7-9-11-17)18-12-20(3,4)23-21(5,6)13-18/h7-11,16,18,23H,12-15H2,1-6H3,(H,22,25)/p+1