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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O3S/c14-11-2-1-10(9-12(11)18(19)20)16-13(22)15-3-4-17-5-7-21-8-6-17/h1-2,9H,3-8,14H2,(H2,15,16,22)/p+1