3-[4-(5-chloranyl-2-methoxy-phenyl)piperazine-1,4-diium-1-yl]propylazanium trichloride

Systemtic Name: 3-[4-(5-chloranyl-2-methoxy-phenyl)piperazine-1,4-diium-1-yl]propylazanium trichloride Openeye Name: 3-[4-(5-chloro-2-methoxy-phenyl)piperazine-1,4-diium-1-yl]propylammonium trichloride CAS Name: 3-[4-(5-chloro-2-methoxyphenyl)-1-piperazine-1,4-diiumyl]propylammonium trichloride IUPAC Name: 3-[4-(5-chloro-2-methoxyphenyl)piperazine-1,4-diium-1-yl]propylazanium trichloride Traditional Name: 3-[4-(5-chloro-2-methoxy-phenyl)piperazine-1,4-diium-1-yl]propylammonium trichloride Formula: C14H25Cl4N3O MolecularWeight: 393.1798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)[NH+]2CC[NH+](CC2)CCC[NH3+].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)[NH+]2CC[NH+](CC2)CCC[NH3+].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C14H22ClN3O.3ClH/c1-19-14-4-3-12(15)11-13(14)18-9-7-17(8-10-18)6-2-5-16;;;/h3-4,11H,2,5-10,16H2,1H3;3*1H