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

Systemtic Name: 1-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]propan-1-one Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N2O2/c1-3-16(19)14-4-6-15(7-5-14)20-13-12-18-10-8-17(2)9-11-18/h4-7H,3,8-13H2,1-2H3/p+2