1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Formula: C20H31ClN3OS+ MolecularWeight: 396.99764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2(CCCCC2)[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2(CCCCC2)[NH+]3CCOCC3)C

InChI

InChI=1S/C20H30ClN3OS/c1-15-12-16(2)18(17(21)13-15)23-19(26)22-14-20(6-4-3-5-7-20)24-8-10-25-11-9-24/h12-13H,3-11,14H2,1-2H3,(H2,22,23,26)/p+1