1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea Formula: C22H29ClN3OS+ MolecularWeight: 419.00316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N[C@H](C)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3)C

InChI

InChI=1S/C22H28ClN3OS/c1-15-13-16(2)20(19(23)14-15)25-22(28)24-17(3)21(18-7-5-4-6-8-18)26-9-11-27-12-10-26/h4-8,13-14,17,21H,9-12H2,1-3H3,(H2,24,25,28)/p+1/t17-,21-/m1/s1