3-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-4-(4-chlorobenzyl)oxy-5-ethoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C23H34BrClN2O2+2 MolecularWeight: 485.88526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrClN2O2/c1-4-27(5-2)13-7-12-26-16-19-14-21(24)23(22(15-19)28-6-3)29-17-18-8-10-20(25)11-9-18/h8-11,14-15,26H,4-7,12-13,16-17H2,1-3H3/p+2