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

Systemtic Name: [4-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2CC2)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NC2CC2)C)C[NH3+]

InChI

InChI=1S/C15H22N2O2/c1-9-6-12(8-16)7-10(2)14(9)19-11(3)15(18)17-13-4-5-13/h6-7,11,13H,4-5,8,16H2,1-3H3,(H,17,18)/p+1/t11-/m0/s1