1-(2-chloranyl-5-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C12H17ClN5O2S+ MolecularWeight: 330.81368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN5O2S/c1-16-4-6-17(7-5-16)15-12(21)14-11-8-9(18(19)20)2-3-10(11)13/h2-3,8H,4-7H2,1H3,(H2,14,15,21)/p+1