1-(2,5-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3OS/c1-13-4-5-14(2)15(12-13)18-16(21)17-6-3-7-19-8-10-20-11-9-19/h4-5,12H,3,6-11H2,1-2H3,(H2,17,18,21)/p+1