1-(2,5-dimethylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H29N3OS/c1-16-5-8-19(9-6-16)21(15-25-10-12-26-13-11-25)24-22(27)23-20-14-17(2)4-7-18(20)3/h4-9,14,21H,10-13,15H2,1-3H3,(H2,23,24,27)/p+1/t21-/m0/s1