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

Systemtic Name: [3-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]oxyphenyl]methylazanium Openeye Name: [3-[(1S)-1-methyl-2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylbutyl]amino]ethoxy]benzyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-4-6-11(2)17-15(18)12(3)19-14-8-5-7-13(9-14)10-16/h5,7-9,11-12H,4,6,10,16H2,1-3H3,(H,17,18)/p+1/t11-,12-/m0/s1