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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea Openeye Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]thiourea IUPAC Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C19H22ClFN3OS+ MolecularWeight: 394.913883

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3OS/c20-17-10-15(6-7-18(17)21)23-19(26)22-11-16-13-24(8-9-25-16)12-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H2,22,23,26)/p+1/t16-/m0/s1