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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]thiourea Traditional Name: 1-(3-chloro-4-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=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

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