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

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-9(2)17-15(18)12(5)19-14-10(3)6-13(8-16)7-11(14)4/h6-7,9,12H,8,16H2,1-5H3,(H,17,18)/p+1/t12-/m0/s1