1-[5-[(1-methylpiperazin-1-ium-1-yl)methyl]-2-(1-oxidanylcyclohexyl)phenyl]ethanone

Systemtic Name: 1-[5-[(1-methylpiperazin-1-ium-1-yl)methyl]-2-(1-oxidanylcyclohexyl)phenyl]ethanone Openeye Name: 1-[2-(1-hydroxycyclohexyl)-5-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone CAS Name: 1-[2-(1-hydroxycyclohexyl)-5-[(1-methyl-1-piperazin-1-iumyl)methyl]phenyl]ethanone IUPAC Name: 1-[2-(1-hydroxycyclohexyl)-5-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[2-(1-hydroxycyclohexyl)-5-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)C[N+]2(CCNCC2)C)C3(CCCCC3)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C[N+]2(CCNCC2)C)C3(CCCCC3)O

InChI

InChI=1S/C20H31N2O2/c1-16(23)18-14-17(15-22(2)12-10-21-11-13-22)6-7-19(18)20(24)8-4-3-5-9-20/h6-7,14,21,24H,3-5,8-13,15H2,1-2H3/q+1