3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoic acid dichloride

Systemtic Name: 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoic acid dichloride Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoic acid dichloride CAS Name: 3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanoic acid dichloride IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoic acid dichloride Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propionic acid dichloride Formula: C14H22Cl2N2O2 MolecularWeight: 321.24268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC(=O)O)CC2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC(=O)O)CC2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C14H20N2O2.2ClH/c17-14(18)6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13;;/h1-5H,6-12H2,(H,17,18);2*1H