1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C13H20N5O3S+ MolecularWeight: 326.3946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H19N5O3S/c1-16-5-7-17(8-6-16)15-13(22)14-11-4-3-10(18(19)20)9-12(11)21-2/h3-4,9H,5-8H2,1-2H3,(H2,14,15,22)/p+1