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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Formula: C19H28BrN2O2+ MolecularWeight: 396.34182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BrN2O2/c1-15-3-2-4-17(13-15)21-9-11-22(12-10-21)19(23)14-24-18-7-5-16(20)6-8-18/h5-8,15,17H,2-4,9-14H2,1H3/p+1/t15-,17+/m1/s1