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

Systemtic Name: 3-cycloheptyl-1-[(4-dimethylaminophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-cycloheptyl-1-[(4-dimethylaminophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-cycloheptyl-1-[(4-dimethylaminophenyl)methyl]-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-cycloheptyl-1-[(4-dimethylaminophenyl)methyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-cycloheptyl-1-[4-(dimethylamino)benzyl]-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C26H45N4S+ MolecularWeight: 445.7273

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=C(C=C2)N(C)C)C(=S)NC3CCCCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=C(C=C2)N(C)C)C(=S)NC3CCCCCC3)C

InChI

InChI=1S/C26H44N4S/c1-25(2)17-23(18-26(3,4)28-25)30(19-20-13-15-22(16-14-20)29(5)6)24(31)27-21-11-9-7-8-10-12-21/h13-16,21,23,28H,7-12,17-19H2,1-6H3,(H,27,31)/p+1