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

Systemtic Name: [2-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]methylazanium Openeye Name: [2-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [2-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC1=CC=CC=C1C[NH3+]

Isomeric SMILES

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

InChI

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