[4-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium

Systemtic Name: [4-[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [4-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC(C)(C)C)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NC(C)(C)C)C)C[NH3+]

InChI

InChI=1S/C16H26N2O2/c1-10-7-13(9-17)8-11(2)14(10)20-12(3)15(19)18-16(4,5)6/h7-8,12H,9,17H2,1-6H3,(H,18,19)/p+1/t12-/m0/s1