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

Systemtic Name: 1-(3-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(m-tolyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-methylphenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-methylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(m-tolyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C17H27N3S/c1-12-7-6-8-13(9-12)18-15(21)19-14-10-16(2,3)20-17(4,5)11-14/h6-9,14,20H,10-11H2,1-5H3,(H2,18,19,21)/p+1