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

Systemtic Name: dibutyl-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]azanium bromide Openeye Name: dibutyl-bis[[5-(4-chlorophenyl)-2-furyl]methyl]ammonium bromide CAS Name: dibutyl-bis[[5-(4-chlorophenyl)-2-furanyl]methyl]ammonium bromide IUPAC Name: dibutyl-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]azanium bromide Traditional Name: dibutyl-bis[[5-(4-chlorophenyl)-2-furyl]methyl]ammonium bromide Formula: C30H34BrCl2NO2 MolecularWeight: 591.40646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34Cl2NO2.BrH/c1-3-5-19-33(20-6-4-2,21-27-15-17-29(34-27)23-7-11-25(31)12-8-23)22-28-16-18-30(35-28)24-9-13-26(32)14-10-24;/h7-18H,3-6,19-22H2,1-2H3;1H/q+1;/p-1