1-(2,5-dimethylphenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Formula: C20H32N3OS+ MolecularWeight: 362.55258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3OS/c1-16-6-7-17(2)18(14-16)22-19(25)21-15-20(8-4-3-5-9-20)23-10-12-24-13-11-23/h6-7,14H,3-5,8-13,15H2,1-2H3,(H2,21,22,25)/p+1