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

Systemtic Name: [3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-ethoxy-phenyl]methyl]ammonium CAS Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-ethoxy-benzyl]ammonium Formula: C22H30BrN2O3+ MolecularWeight: 450.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H29BrN2O3/c1-5-27-19-12-17(14-24-13-16-9-7-6-8-10-16)11-18(23)21(19)28-15-20(26)25-22(2,3)4/h6-12,24H,5,13-15H2,1-4H3,(H,25,26)/p+1