4-[[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]methyl]-N1-methyl-benzene-1,2-diamine chloride

Systemtic Name: 4-[[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]methyl]-N1-methyl-benzene-1,2-diamine chloride Openeye Name: 4-[[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]methyl]-N1-methyl-benzene-1,2-diamine chloride CAS Name: 4-[[2-(1,4-dimethyl-1-piperazin-1-iumyl)ethylamino]methyl]-N1-methylbenzene-1,2-diamine chloride IUPAC Name: 4-[[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]methyl]-1-N-methylbenzene-1,2-diamine chloride Traditional Name: [2-amino-4-[[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethylamino]methyl]phenyl]-methyl-amine chloride Formula: C16H30ClN5 MolecularWeight: 327.8959

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)CNCC[N+]2(CCN(CC2)C)C)N.[Cl-]

Isomeric SMILES

CNC1=C(C=C(C=C1)CNCC[N+]2(CCN(CC2)C)C)N.[Cl-]

InChI

InChI=1S/C16H30N5.ClH/c1-18-16-5-4-14(12-15(16)17)13-19-6-9-21(3)10-7-20(2)8-11-21;/h4-5,12,18-19H,6-11,13,17H2,1-3H3;1H/q+1;/p-1