4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]benzene-1,3-diamine dihydrate trihydrochloride

Systemtic Name: 4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]benzene-1,3-diamine dihydrate trihydrochloride Openeye Name: 4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]benzene-1,3-diamine dihydrate trihydrochloride CAS Name: 4-[3-(1,4-dimethyl-1-piperazin-1-iumyl)propoxy]benzene-1,3-diamine dihydrate trihydrochloride IUPAC Name: 4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]benzene-1,3-diamine dihydrate trihydrochloride Traditional Name: [3-amino-4-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]phenyl]amine dihydrate trihydrochloride Formula: C15H34Cl3N4O3+ MolecularWeight: 424.81446

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C)CCCOC2=C(C=C(C=C2)N)N.O.O.Cl.Cl.Cl

Isomeric SMILES

CN1CC[N+](CC1)(C)CCCOC2=C(C=C(C=C2)N)N.O.O.Cl.Cl.Cl

InChI

InChI=1S/C15H27N4O.3ClH.2H2O/c1-18-6-9-19(2,10-7-18)8-3-11-20-15-5-4-13(16)12-14(15)17;;;;;/h4-5,12H,3,6-11,16-17H2,1-2H3;3*1H;2*1H2/q+1;;;;;