1-[6-[4-(4-bromanylpiperidin-1-yl)phenoxy]hexyl]-1-methyl-piperidin-1-ium-3,3-diol

Systemtic Name: 1-[6-[4-(4-bromanylpiperidin-1-yl)phenoxy]hexyl]-1-methyl-piperidin-1-ium-3,3-diol Openeye Name: 1-[6-[4-(4-bromo-1-piperidyl)phenoxy]hexyl]-1-methyl-piperidin-1-ium-3,3-diol CAS Name: 1-[6-[4-(4-bromo-1-piperidinyl)phenoxy]hexyl]-1-methylpiperidin-1-ium-3,3-diol IUPAC Name: 1-[6-[4-(4-bromopiperidin-1-yl)phenoxy]hexyl]-1-methylpiperidin-1-ium-3,3-diol Traditional Name: 1-[6-[4-(4-bromopiperidino)phenoxy]hexyl]-1-methyl-piperidin-1-ium-3,3-diol Formula: C23H38BrN2O3+ MolecularWeight: 470.46342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)(O)O)CCCCCCOC2=CC=C(C=C2)N3CCC(CC3)Br

Isomeric SMILES

C[N+]1(CCCC(C1)(O)O)CCCCCCOC2=CC=C(C=C2)N3CCC(CC3)Br

InChI

InChI=1S/C23H38BrN2O3/c1-26(17-6-13-23(27,28)19-26)16-4-2-3-5-18-29-22-9-7-21(8-10-22)25-14-11-20(24)12-15-25/h7-10,20,27-28H,2-6,11-19H2,1H3/q+1