1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H28N2O2/c1-16-6-5-7-17(14-16)20-10-12-21(13-11-20)19(22)15-23-18-8-3-2-4-9-18/h2-4,8-9,16-17H,5-7,10-15H2,1H3/p+1/t16-,17+/m1/s1