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

Systemtic Name: [4-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [4-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-11-8-14(10-17)9-12(2)15(11)21-13(3)16(19)18-6-5-7-20-4/h8-9,13H,5-7,10,17H2,1-4H3,(H,18,19)/p+1/t13-/m0/s1