dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonio]propyl]ammonium Formula: C26H49N3O3+2 MolecularWeight: 451.68556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N3O3/c1-7-10-16-29(17-11-8-2)18-12-15-27-20-22-13-14-23(24(19-22)31-9-3)32-21-25(30)28-26(4,5)6/h13-14,19,27H,7-12,15-18,20-21H2,1-6H3,(H,28,30)/p+2