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

Systemtic Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonio]propyl]ammonium Formula: C25H47N3O3+2 MolecularWeight: 437.65898

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H45N3O3/c1-7-9-15-28(16-10-8-2)17-11-14-26-19-21-12-13-22(23(18-21)30-6)31-20-24(29)27-25(3,4)5/h12-13,18,26H,7-11,14-17,19-20H2,1-6H3,(H,27,29)/p+2