1-(2-chloranyl-5-nitro-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C16H24ClN4O2S+ MolecularWeight: 371.90536

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H23ClN4O2S/c1-15(2)8-10(9-16(3,4)20-15)18-14(24)19-13-7-11(21(22)23)5-6-12(13)17/h5-7,10,20H,8-9H2,1-4H3,(H2,18,19,24)/p+1