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

Systemtic Name: 4-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]butan-2-one CAS Name: 4-[4-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]butan-2-one Traditional Name: 4-[4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]phenyl]butan-2-one Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H26N2O2/c1-15(20)3-4-16-5-7-17(8-6-16)21-14-13-19-11-9-18(2)10-12-19/h5-8H,3-4,9-14H2,1-2H3/p+2