1-[2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethoxy]phenyl]propan-1-one Openeye Name: 1-[2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one CAS Name: 1-[2-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethoxy]phenyl]-1-propanone IUPAC Name: 1-[2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one Traditional Name: 1-[2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one Formula: C22H30N2O2+2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-21(25)20-10-6-7-11-22(20)26-17-16-23-12-14-24(15-13-23)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3/p+2