3-[[3,5-bis(chloranyl)-4-phenylmethoxy-phenyl]methylazaniumyl]propyl-dibutyl-azanium

Systemtic Name: 3-[[3,5-bis(chloranyl)-4-phenylmethoxy-phenyl]methylazaniumyl]propyl-dibutyl-azanium Openeye Name: 3-[(4-benzyloxy-3,5-dichloro-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(3,5-dichloro-4-phenylmethoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(3,5-dichloro-4-phenylmethoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(4-benzoxy-3,5-dichloro-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C25H38Cl2N2O+2 MolecularWeight: 453.48802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36Cl2N2O/c1-3-5-14-29(15-6-4-2)16-10-13-28-19-22-17-23(26)25(24(27)18-22)30-20-21-11-8-7-9-12-21/h7-9,11-12,17-18,28H,3-6,10,13-16,19-20H2,1-2H3/p+2