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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C20H35N2O4+ MolecularWeight: 367.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4/c1-6-24-12-8-11-21-14-16-9-10-17(18(13-16)25-7-2)26-15-19(23)22-20(3,4)5/h9-10,13,21H,6-8,11-12,14-15H2,1-5H3,(H,22,23)/p+1