1-[(E)-but-1-enyl]-1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium bromide

Systemtic Name: 1-[(E)-but-1-enyl]-1-(7-chloranyldibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium bromide Openeye Name: 1-[(E)-but-1-enyl]-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium bromide CAS Name: 1-[(E)-but-1-enyl]-1-[(7-chloro-3-dibenzofuranyl)oxy]-2-ethylpiperidin-1-ium bromide IUPAC Name: 1-[(E)-but-1-enyl]-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethylpiperidin-1-ium bromide Traditional Name: 1-[(E)-but-1-enyl]-1-(7-chlorodibenzofuran-3-yl)oxy-2-ethyl-piperidin-1-ium bromide Formula: C23H27BrClNO2 MolecularWeight: 464.82298

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C[N+]1(CCCCC1CC)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

Isomeric SMILES

CC/C=C/[N+]1(CCCCC1CC)OC2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C23H27ClNO2.BrH/c1-3-5-13-25(14-7-6-8-18(25)4-2)27-19-10-12-21-20-11-9-17(24)15-22(20)26-23(21)16-19;/h5,9-13,15-16,18H,3-4,6-8,14H2,1-2H3;1H/q+1;/p-1/b13-5+;