[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C22H39N3O4+2 MolecularWeight: 409.56276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H37N3O4/c1-5-28-20-15-18(16-23-9-6-10-25-11-13-27-14-12-25)7-8-19(20)29-17-21(26)24-22(2,3)4/h7-8,15,23H,5-6,9-14,16-17H2,1-4H3,(H,24,26)/p+2