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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-hexyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-hexyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-hexylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-hexylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-hexyl-ammonium Formula: C21H37N2O3+ MolecularWeight: 365.53008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3/c1-6-8-9-10-13-22-15-17-11-12-18(19(14-17)25-7-2)26-16-20(24)23-21(3,4)5/h11-12,14,22H,6-10,13,15-16H2,1-5H3,(H,23,24)/p+1