1-(3-methoxy-4-nitro-phenyl)piperazin-4-ium chloride

Systemtic Name: 1-(3-methoxy-4-nitro-phenyl)piperazin-4-ium chloride Openeye Name: 1-(3-methoxy-4-nitro-phenyl)piperazin-4-ium chloride CAS Name: 1-(3-methoxy-4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 1-(3-methoxy-4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 1-(3-methoxy-4-nitro-phenyl)piperazin-4-ium chloride Formula: C11H16ClN3O3 MolecularWeight: 273.71604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)N2CC[NH2+]CC2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H15N3O3.ClH/c1-17-11-8-9(2-3-10(11)14(15)16)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3;1H