bis[[5-(4-chlorophenyl)furan-2-yl]methyl]-pentyl-azanium bromide

Systemtic Name: bis[[5-(4-chlorophenyl)furan-2-yl]methyl]-pentyl-azanium bromide Openeye Name: bis[[5-(4-chlorophenyl)-2-furyl]methyl]-pentyl-ammonium bromide CAS Name: bis[[5-(4-chlorophenyl)-2-furanyl]methyl]-pentylammonium bromide IUPAC Name: bis[[5-(4-chlorophenyl)furan-2-yl]methyl]-pentylazanium bromide Traditional Name: amyl-bis[[5-(4-chlorophenyl)-2-furyl]methyl]ammonium bromide Formula: C27H28BrCl2NO2 MolecularWeight: 549.32672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Cl)CC3=CC=C(O3)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

CCCCC[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Cl)CC3=CC=C(O3)C4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C27H27Cl2NO2.BrH/c1-2-3-4-17-30(18-24-13-15-26(31-24)20-5-9-22(28)10-6-20)19-25-14-16-27(32-25)21-7-11-23(29)12-8-21;/h5-16H,2-4,17-19H2,1H3;1H