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

Systemtic Name: [4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl-cyclooctyl-azanium Openeye Name: [4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methyl-cyclooctyl-ammonium CAS Name: [4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-cyclooctylammonium IUPAC Name: [4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-cyclooctylazanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]-cyclooctyl-ammonium Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]C2CCCCCCC2

Isomeric SMILES

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C21H34N2O2/c1-21(2,3)23-20(24)16-25-19-13-11-17(12-14-19)15-22-18-9-7-5-4-6-8-10-18/h11-14,18,22H,4-10,15-16H2,1-3H3,(H,23,24)/p+1