1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-4-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-4-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-4-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-[(2S,6S)-2,6-dimethyl-4-piperidin-1-iumyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-4-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-4-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Formula: C16H27N4O2S2+ MolecularWeight: 371.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC([NH2+]1)C)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]1CC(C[C@@H]([NH2+]1)C)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H26N4O2S2/c1-11-8-14(9-12(2)17-11)19-16(23)18-13-6-5-7-15(10-13)24(21,22)20(3)4/h5-7,10-12,14,17H,8-9H2,1-4H3,(H2,18,19,23)/p+1/t11-,12-/m0/s1