3-cycloheptyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-cycloheptyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-cycloheptyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thienylmethyl)thiourea CAS Name: 3-cycloheptyl-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-cycloheptyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-cycloheptyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thenyl)thiourea Formula: C22H38N3S2+ MolecularWeight: 408.68722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CS2)C(=S)NC3CCCCCC3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CS2)C(=S)NC3CCCCCC3)C

InChI

InChI=1S/C22H37N3S2/c1-21(2)14-18(15-22(3,4)24-21)25(16-19-12-9-13-27-19)20(26)23-17-10-7-5-6-8-11-17/h9,12-13,17-18,24H,5-8,10-11,14-16H2,1-4H3,(H,23,26)/p+1