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

Systemtic Name: [3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-ethoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-ethoxy-benzyl]-cyclohexyl-ammonium Formula: C21H34BrN2O3+ MolecularWeight: 442.41026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33BrN2O3/c1-5-26-18-12-15(13-23-16-9-7-6-8-10-16)11-17(22)20(18)27-14-19(25)24-21(2,3)4/h11-12,16,23H,5-10,13-14H2,1-4H3,(H,24,25)/p+1