1-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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