3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate

Systemtic Name: 3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoate Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanoate IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propanoate Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)propionate Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/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)/p+1