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

Systemtic Name: 3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-(3,4-dichlorobenzyl)oxy-3-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H32Cl2N2O2+2 MolecularWeight: 427.40768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30Cl2N2O2/c1-4-26(5-2)12-6-11-25-15-17-8-10-21(22(14-17)27-3)28-16-18-7-9-19(23)20(24)13-18/h7-10,13-14,25H,4-6,11-12,15-16H2,1-3H3/p+2