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

Systemtic Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-(2,4-dichlorobenzyl)oxybenzyl]ammonio]propyl-diethyl-ammonium Formula: C21H30Cl2N2O+2 MolecularWeight: 397.3817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Cl2N2O/c1-3-25(4-2)13-5-12-24-15-17-6-10-20(11-7-17)26-16-18-8-9-19(22)14-21(18)23/h6-11,14,24H,3-5,12-13,15-16H2,1-2H3/p+2