1-[[3-(chloromethyl)phenyl]methyl]-1-methyl-piperazin-1-ium dihydrochloride

Systemtic Name: 1-[[3-(chloromethyl)phenyl]methyl]-1-methyl-piperazin-1-ium dihydrochloride Openeye Name: 1-[[3-(chloromethyl)phenyl]methyl]-1-methyl-piperazin-1-ium dihydrochloride CAS Name: 1-[[3-(chloromethyl)phenyl]methyl]-1-methylpiperazin-1-ium dihydrochloride IUPAC Name: 1-[[3-(chloromethyl)phenyl]methyl]-1-methylpiperazin-1-ium dihydrochloride Traditional Name: 1-[3-(chloromethyl)benzyl]-1-methyl-piperazin-1-ium dihydrochloride Formula: C13H22Cl3N2+ MolecularWeight: 312.68618

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=CC(=CC=C2)CCl.Cl.Cl

Isomeric SMILES

C[N+]1(CCNCC1)CC2=CC(=CC=C2)CCl.Cl.Cl

InChI

InChI=1S/C13H20ClN2.2ClH/c1-16(7-5-15-6-8-16)11-13-4-2-3-12(9-13)10-14;;/h2-4,9,15H,5-8,10-11H2,1H3;2*1H/q+1;;