dibutyl-[3-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(4-allyloxy-3-chloro-5-methoxy-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C22H39ClN2O2+2 MolecularWeight: 399.01026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37ClN2O2/c1-5-8-12-25(13-9-6-2)14-10-11-24-18-19-16-20(23)22(27-15-7-3)21(17-19)26-4/h7,16-17,24H,3,5-6,8-15,18H2,1-2,4H3/p+2