1-[4-(4-cyclooctylpiperazin-4-ium-1-yl)phenyl]ethanone

Systemtic Name: 1-[4-(4-cyclooctylpiperazin-4-ium-1-yl)phenyl]ethanone Openeye Name: 1-[4-(4-cyclooctylpiperazin-4-ium-1-yl)phenyl]ethanone CAS Name: 1-[4-(4-cyclooctyl-1-piperazin-4-iumyl)phenyl]ethanone IUPAC Name: 1-[4-(4-cyclooctylpiperazin-4-ium-1-yl)phenyl]ethanone Traditional Name: 1-[4-(4-cyclooctylpiperazin-4-ium-1-yl)phenyl]ethanone Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCCCCC3

InChI

InChI=1S/C20H30N2O/c1-17(23)18-9-11-20(12-10-18)22-15-13-21(14-16-22)19-7-5-3-2-4-6-8-19/h9-12,19H,2-8,13-16H2,1H3/p+1