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

Systemtic Name: dibutyl-[3-[(3-methoxy-2-phenylmethoxy-phenyl)methylazaniumyl]propyl]azanium Openeye Name: 3-[(2-benzyloxy-3-methoxy-phenyl)methylammonio]propyl-dibutyl-ammonium CAS Name: dibutyl-[3-[(3-methoxy-2-phenylmethoxyphenyl)methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[(3-methoxy-2-phenylmethoxyphenyl)methylazaniumyl]propyl]azanium Traditional Name: 3-[(2-benzoxy-3-methoxy-benzyl)ammonio]propyl-dibutyl-ammonium Formula: C26H42N2O2+2 MolecularWeight: 414.62388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O2/c1-4-6-18-28(19-7-5-2)20-12-17-27-21-24-15-11-16-25(29-3)26(24)30-22-23-13-9-8-10-14-23/h8-11,13-16,27H,4-7,12,17-22H2,1-3H3/p+2