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

Systemtic Name: 3-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C22H41N3O3+2 MolecularWeight: 395.57924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O3/c1-7-25(8-2)14-10-13-23-16-18-11-12-19(20(15-18)27-9-3)28-17-21(26)24-22(4,5)6/h11-12,15,23H,7-10,13-14,16-17H2,1-6H3,(H,24,26)/p+2