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

Systemtic Name: 3-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H31BrCl2N2O2+2 MolecularWeight: 506.30374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrCl2N2O2/c1-4-27(5-2)10-6-9-26-14-16-11-19(23)22(21(12-16)28-3)29-15-17-7-8-18(24)13-20(17)25/h7-8,11-13,26H,4-6,9-10,14-15H2,1-3H3/p+2