[3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [3-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]methylazanium Traditional Name: [3-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=CC=CC(=C1)C[NH3+]

InChI

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