[3-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylazanium

Systemtic Name: [3-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylazanium Openeye Name: [3-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C13H20N2O2/c1-9(2)15-13(16)10(3)17-12-6-4-5-11(7-12)8-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)/p+1/t10-/m0/s1