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

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

Systemtic Name:3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoic acid
Openeye Name:3-(4-benzylpiperazine-1,4-diium-1-yl)propanoic acid
CAS Name:3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanoic acid
IUPAC Name:3-(4-benzylpiperazine-1,4-diium-1-yl)propanoic acid
Traditional Name:3-(4-benzylpiperazine-1,4-diium-1-yl)propionic acid
Formula: C14H22N2O2+2
MolecularWeight: 250.33668
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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+2


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