1-(2-methoxy-5-nitro-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(2-methoxy-5-nitro-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(2-methoxy-5-nitrophenyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(2-methoxy-5-nitrophenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(2-methoxy-5-nitro-phenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C14H21N4O4S+ MolecularWeight: 341.40594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C14H20N4O4S/c1-21-13-3-2-11(18(19)20)10-12(13)16-14(23)15-4-5-17-6-8-22-9-7-17/h2-3,10H,4-9H2,1H3,(H2,15,16,23)/p+1