3-cycloheptyl-1-[(2-methylphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-cycloheptyl-1-[(2-methylphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-cycloheptyl-1-(o-tolylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-cycloheptyl-1-[(2-methylphenyl)methyl]-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-cycloheptyl-1-[(2-methylphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-cycloheptyl-1-(2-methylbenzyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C25H42N3S+ MolecularWeight: 416.68608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2CC([NH2+]C(C2)(C)C)(C)C)C(=S)NC3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN(C2CC([NH2+]C(C2)(C)C)(C)C)C(=S)NC3CCCCCC3

InChI

InChI=1S/C25H41N3S/c1-19-12-10-11-13-20(19)18-28(22-16-24(2,3)27-25(4,5)17-22)23(29)26-21-14-8-6-7-9-15-21/h10-13,21-22,27H,6-9,14-18H2,1-5H3,(H,26,29)/p+1