2-(4-bromanylphenoxy)-1-[4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(1R,2R)-2-methylcyclohexyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-[(1R,2R)-2-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Formula: C19H28BrN2O2+ MolecularWeight: 396.34182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN2O2/c1-15-4-2-3-5-18(15)21-10-12-22(13-11-21)19(23)14-24-17-8-6-16(20)7-9-17/h6-9,15,18H,2-5,10-14H2,1H3/p+1/t15-,18-/m1/s1