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

Systemtic Name: dibutyl-[3-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-(4-chlorobenzyl)oxy-3-ethoxy-benzyl]ammonio]propyl]ammonium Formula: C27H43ClN2O2+2 MolecularWeight: 463.09552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41ClN2O2/c1-4-7-17-30(18-8-5-2)19-9-16-29-21-24-12-15-26(27(20-24)31-6-3)32-22-23-10-13-25(28)14-11-23/h10-15,20,29H,4-9,16-19,21-22H2,1-3H3/p+2