1-(2-chloranyl-5-nitro-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-methyl-2-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(2-methyl-2-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(2-methyl-2-morpholin-4-ium-4-yl-propyl)thiourea Formula: C15H22ClN4O3S+ MolecularWeight: 373.87818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCOCC2

InChI

InChI=1S/C15H21ClN4O3S/c1-15(2,19-5-7-23-8-6-19)10-17-14(24)18-13-9-11(20(21)22)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18,24)/p+1