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

Systemtic Name: 1-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(2-chloro-5-morpholinosulfonyl-phenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C20H32ClN4O3S2+ MolecularWeight: 476.07608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)C

InChI

InChI=1S/C20H31ClN4O3S2/c1-19(2)12-14(13-20(3,4)24-19)22-18(29)23-17-11-15(5-6-16(17)21)30(26,27)25-7-9-28-10-8-25/h5-6,11,14,24H,7-10,12-13H2,1-4H3,(H2,22,23,29)/p+1