3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C23H35ClN2O2+2 MolecularWeight: 406.9892

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)OCC

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2Cl)OCC

InChI

InChI=1S/C23H33ClN2O2/c1-4-26(5-2)15-9-14-25-17-19-12-13-22(23(16-19)27-6-3)28-18-20-10-7-8-11-21(20)24/h7-8,10-13,16,25H,4-6,9,14-15,17-18H2,1-3H3/p+2