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

Systemtic Name: dibutyl-[3-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]ammonio]propyl]ammonium Formula: C26H41ClN2O2+2 MolecularWeight: 449.06894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39ClN2O2/c1-4-6-17-29(18-7-5-2)19-9-16-28-20-23-10-8-11-25(30-3)26(23)31-21-22-12-14-24(27)15-13-22/h8,10-15,28H,4-7,9,16-21H2,1-3H3/p+2