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

Systemtic Name: dibutyl-[3-[(3-chloranyl-4-ethoxy-phenyl)methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[(3-chloro-4-ethoxy-phenyl)methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[(3-chloro-4-ethoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(3-chloro-4-ethoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[(3-chloro-4-ethoxy-benzyl)ammonio]propyl]ammonium Formula: C20H37ClN2O+2 MolecularWeight: 356.97358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35ClN2O/c1-4-7-13-23(14-8-5-2)15-9-12-22-17-18-10-11-20(24-6-3)19(21)16-18/h10-11,16,22H,4-9,12-15,17H2,1-3H3/p+2