1-[3-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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