1-(3-chloranyl-2-methyl-phenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3OS/c1-15-6-8-17(9-7-15)20(14-25-10-12-26-13-11-25)24-21(27)23-19-5-3-4-18(22)16(19)2/h3-9,20H,10-14H2,1-2H3,(H2,23,24,27)/p+1/t20-/m0/s1