1-(2-morpholin-4-ium-4-ylethyl)-3-[(3-nitrophenyl)amino]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(3-nitrophenyl)amino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-nitroanilino)thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-(3-nitroanilino)thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-nitroanilino)thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-(3-nitroanilino)thiourea Formula: C13H20N5O3S+ MolecularWeight: 326.3946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O3S/c19-18(20)12-3-1-2-11(10-12)15-16-13(22)14-4-5-17-6-8-21-9-7-17/h1-3,10,15H,4-9H2,(H2,14,16,22)/p+1