1-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(4-methylcyclohexyl)-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(4-methylcyclohexyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C19H29N2O2+ MolecularWeight: 317.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1CCC(CC1)[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H28N2O2/c1-16-7-9-17(10-8-16)20-11-13-21(14-12-20)19(22)15-23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3/p+1