4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-(4-ethyl-1-piperazin-4-iumyl)propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]phenyl]butan-2-one Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)CCC(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)CCC(=O)C

InChI

InChI=1S/C19H30N2O2/c1-3-20-12-14-21(15-13-20)11-4-16-23-19-9-7-18(8-10-19)6-5-17(2)22/h7-10H,3-6,11-16H2,1-2H3/p+1