dibutyl-[3-[(5-chloranyl-2-phenylmethoxy-phenyl)methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[(5-chloranyl-2-phenylmethoxy-phenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(2-benzyloxy-5-chloro-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(5-chloro-2-phenylmethoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(5-chloro-2-phenylmethoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(2-benzoxy-5-chloro-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C25H39ClN2O+2 MolecularWeight: 419.04296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37ClN2O/c1-3-5-16-28(17-6-4-2)18-10-15-27-20-23-19-24(26)13-14-25(23)29-21-22-11-8-7-9-12-22/h7-9,11-14,19,27H,3-6,10,15-18,20-21H2,1-2H3/p+2