3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C22H39N2O4+ MolecularWeight: 395.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O4/c1-6-8-13-26-14-9-12-23-16-18-10-11-19(20(15-18)27-7-2)28-17-21(25)24-22(3,4)5/h10-11,15,23H,6-9,12-14,16-17H2,1-5H3,(H,24,25)/p+1