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

Systemtic Name: 4-[4-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-(4-benzylpiperazin-1-ium-1-yl)propoxy]phenyl]butan-2-one Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-21(27)8-9-22-10-12-24(13-11-22)28-19-5-14-25-15-17-26(18-16-25)20-23-6-3-2-4-7-23/h2-4,6-7,10-13H,5,8-9,14-20H2,1H3/p+1