1-[3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[3-[3-(4-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[3-[3-(4-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]ethanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-18(24)19-7-5-10-21(17-19)25-16-6-11-22-12-14-23(15-13-22)20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16H2,1H3/p+1