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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-16-7-5-6-10-18(16)20-11-13-21(14-12-20)19(22)15-23-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/p+1/t16-,18-/m0/s1