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

Systemtic Name: 3-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H33ClN2O2+2 MolecularWeight: 392.96262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O2/c1-4-25(5-2)13-7-12-24-16-18-10-11-21(22(15-18)26-3)27-17-19-8-6-9-20(23)14-19/h6,8-11,14-15,24H,4-5,7,12-13,16-17H2,1-3H3/p+2