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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3OS/c1-15-17(21)8-5-9-18(15)22-20(26)23-19(16-6-3-2-4-7-16)14-24-10-12-25-13-11-24/h2-9,19H,10-14H2,1H3,(H2,22,23,26)/p+1/t19-/m1/s1