1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]ethanone Openeye Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]ethanone CAS Name: 1-[4-[4-(4-methyl-1-piperazin-1-iumyl)butoxy]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]ethanone Traditional Name: 1-[4-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]phenyl]ethanone Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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