dibutyl-[3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]ammonio]propyl]ammonium Formula: C25H40ClN3O2+2 MolecularWeight: 450.057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38ClN3O2/c1-4-6-14-29(15-7-5-2)16-8-13-27-18-21-9-11-23(24(17-21)30-3)31-20-22-10-12-25(26)28-19-22/h9-12,17,19,27H,4-8,13-16,18,20H2,1-3H3/p+2