3-[[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[5-bromanyl-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[5-bromo-2-(2,4-dichlorobenzyl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C21H29BrCl2N2O+2 MolecularWeight: 476.27776

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H27BrCl2N2O/c1-3-26(4-2)11-5-10-25-14-17-12-18(22)7-9-21(17)27-15-16-6-8-19(23)13-20(16)24/h6-9,12-13,25H,3-5,10-11,14-15H2,1-2H3/p+2