1-(2-chloranyl-5-nitro-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea Formula: C18H26ClN4O3S+ MolecularWeight: 413.94204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[NH+]3CCOCC3

InChI

InChI=1S/C18H25ClN4O3S/c19-15-5-4-14(23(24)25)12-16(15)21-17(27)20-13-18(6-2-1-3-7-18)22-8-10-26-11-9-22/h4-5,12H,1-3,6-11,13H2,(H2,20,21,27)/p+1