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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-16-8-7-11-20(17(16)2)24-22(27)23-18(3)21(19-9-5-4-6-10-19)25-12-14-26-15-13-25/h4-11,18,21H,12-15H2,1-3H3,(H2,23,24,27)/p+1/t18-,21-/m1/s1