1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[2-methyl-2-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Formula: C17H27ClN3OS+ MolecularWeight: 356.93378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(C)(C)[NH+]2CCOCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(C)(C)[NH+]2CCOCC2)C

InChI

InChI=1S/C17H26ClN3OS/c1-12-9-13(2)15(14(18)10-12)20-16(23)19-11-17(3,4)21-5-7-22-8-6-21/h9-10H,5-8,11H2,1-4H3,(H2,19,20,23)/p+1