4-(4,4-dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-amine trichloride hexahydrochloride

Systemtic Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-amine trichloride hexahydrochloride Openeye Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-amine trichloride hexahydrochloride CAS Name: 4-(4,4-dimethyl-1-piperazin-4-iumyl)-1-cyclohex-2-enamine trichloride hexahydrochloride IUPAC Name: 4-(4,4-dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-amine trichloride hexahydrochloride Traditional Name: [4-(4,4-dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-yl]amine trichloride hexahydrochloride Formula: C36H78Cl9N9 MolecularWeight: 956.14182

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2CCC(C=C2)N)C.C[N+]1(CCN(CC1)C2CCC(C=C2)N)C.C[N+]1(CCN(CC1)C2CCC(C=C2)N)C.Cl.Cl.Cl.Cl.Cl.Cl.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2CCC(C=C2)N)C.C[N+]1(CCN(CC1)C2CCC(C=C2)N)C.C[N+]1(CCN(CC1)C2CCC(C=C2)N)C.Cl.Cl.Cl.Cl.Cl.Cl.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/3C12H24N3.9ClH/c3*1-15(2)9-7-14(8-10-15)12-5-3-11(13)4-6-12;;;;;;;;;/h3*3,5,11-12H,4,6-10,13H2,1-2H3;9*1H/q3*+1;;;;;;;;;/p-3