1-(2-chloranyl-5-nitro-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]thiourea Formula: C19H22ClN4O3S+ MolecularWeight: 421.92098

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O3S/c20-16-7-6-15(24(25)26)12-17(16)21-19(28)22-18(14-4-2-1-3-5-14)13-23-8-10-27-11-9-23/h1-7,12,18H,8-11,13H2,(H2,21,22,28)/p+1/t18-/m0/s1