3-[3,5-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]propyl-dibutyl-azanium

Systemtic Name: 3-[3,5-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]propyl-dibutyl-azanium Openeye Name: dibutyl-[3-[3,5-dibromo-4-(2-butylbenzofuran-3-carbonyl)phenoxy]propyl]ammonium CAS Name: dibutyl-[3-[3,5-dibromo-4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]propyl]ammonium IUPAC Name: dibutyl-[3-[3,5-dibromo-4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]propyl]azanium Traditional Name: dibutyl-[3-[3,5-dibromo-4-(2-butylbenzofuran-3-carbonyl)phenoxy]propyl]ammonium Formula: C30H40Br2NO3+ MolecularWeight: 622.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=C(C=C(C=C3Br)OCCC[NH+](CCCC)CCCC)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=C(C=C(C=C3Br)OCCC[NH+](CCCC)CCCC)Br

InChI

InChI=1S/C30H39Br2NO3/c1-4-7-14-27-28(23-13-10-11-15-26(23)36-27)30(34)29-24(31)20-22(21-25(29)32)35-19-12-18-33(16-8-5-2)17-9-6-3/h10-11,13,15,20-21H,4-9,12,14,16-19H2,1-3H3/p+1