1-(4-methylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(4-nitrophenyl)thiourea Formula: C12H18N5O2S+ MolecularWeight: 296.36862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-15-6-8-16(9-7-15)14-12(20)13-10-2-4-11(5-3-10)17(18)19/h2-5H,6-9H2,1H3,(H2,13,14,20)/p+1