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

Systemtic Name: 3-cycloheptyl-1-[(2-ethoxyphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-cycloheptyl-1-[(2-ethoxyphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-cycloheptyl-1-[(2-ethoxyphenyl)methyl]-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-cycloheptyl-1-[(2-ethoxyphenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-cycloheptyl-1-(2-ethoxybenzyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C26H44N3OS+ MolecularWeight: 446.71206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN(C2CC([NH2+]C(C2)(C)C)(C)C)C(=S)NC3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1CN(C2CC([NH2+]C(C2)(C)C)(C)C)C(=S)NC3CCCCCC3

InChI

InChI=1S/C26H43N3OS/c1-6-30-23-16-12-11-13-20(23)19-29(22-17-25(2,3)28-26(4,5)18-22)24(31)27-21-14-9-7-8-10-15-21/h11-13,16,21-22,28H,6-10,14-15,17-19H2,1-5H3,(H,27,31)/p+1