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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl-cyclooctyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-cyclooctylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl-cyclooctylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-cyclooctyl-ammonium Formula: C23H39N2O3+ MolecularWeight: 391.56736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H38N2O3/c1-5-27-21-15-18(16-24-19-11-9-7-6-8-10-12-19)13-14-20(21)28-17-22(26)25-23(2,3)4/h13-15,19,24H,5-12,16-17H2,1-4H3,(H,25,26)/p+1