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

Systemtic Name: dibutyl-[3-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-(3-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=CC(=C(C=C1)OCC2=CC(=CC=C2)Cl)OC

Isomeric SMILES

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

InChI

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