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

Systemtic Name: 3-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H32BrClN2O2+2 MolecularWeight: 471.85868

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrClN2O2/c1-4-26(5-2)12-6-11-25-15-18-13-20(23)22(21(14-18)27-3)28-16-17-7-9-19(24)10-8-17/h7-10,13-14,25H,4-6,11-12,15-16H2,1-3H3/p+2