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

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-phenylsulfanylethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-[2-(phenylthio)ethyl]-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-[2-(phenylthio)ethyl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C18H30N3S2+ MolecularWeight: 352.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NCCSC2=CC=CC=C2)C

InChI

InChI=1S/C18H29N3S2/c1-17(2)12-14(13-18(3,4)21-17)20-16(22)19-10-11-23-15-8-6-5-7-9-15/h5-9,14,21H,10-13H2,1-4H3,(H2,19,20,22)/p+1