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

Systemtic Name: 3-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thienylmethyl)thiourea CAS Name: 3-phenyl-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thenyl)thiourea Formula: C21H30N3S2+ MolecularWeight: 388.613

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CS2)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CS2)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3S2/c1-20(2)13-17(14-21(3,4)23-20)24(15-18-11-8-12-26-18)19(25)22-16-9-6-5-7-10-16/h5-12,17,23H,13-15H2,1-4H3,(H,22,25)/p+1