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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1C)C[NH3+])C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC1=C(C=C(C=C1C)C[NH3+])C

InChI

InChI=1S/C15H24N2O2/c1-5-6-17-15(18)12(4)19-14-10(2)7-13(9-16)8-11(14)3/h7-8,12H,5-6,9,16H2,1-4H3,(H,17,18)/p+1/t12-/m0/s1