2-[4-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]ethylazanium

Systemtic Name: 2-[4-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]ethylazanium Openeye Name: 2-[4-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]phenyl]ethylammonium CAS Name: 2-[4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]ethylammonium IUPAC Name: 2-[4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]ethylazanium Traditional Name: 2-[4-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]phenyl]ethylammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-10(2)16-14(17)11(3)18-13-6-4-12(5-7-13)8-9-15/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17)/p+1/t11-/m0/s1