[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-ethoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C22H38BrN3O4+2 MolecularWeight: 488.45882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36BrN3O4/c1-5-29-19-14-17(15-24-7-6-8-26-9-11-28-12-10-26)13-18(23)21(19)30-16-20(27)25-22(2,3)4/h13-14,24H,5-12,15-16H2,1-4H3,(H,25,27)/p+2