1-(3,5-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(3,5-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=CC(=CC(=C1)NC(=S)NC(C)C(C2=CC=CC=C2)[NH+]3CCOCC3)C

Isomeric SMILES

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

InChI

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