1-(3-bromophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(3-bromophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3-bromophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3-bromophenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3-bromophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3-bromophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C16H25BrN3S+ MolecularWeight: 371.3588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C16H24BrN3S/c1-15(2)9-13(10-16(3,4)20-15)19-14(21)18-12-7-5-6-11(17)8-12/h5-8,13,20H,9-10H2,1-4H3,(H2,18,19,21)/p+1