[3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-2-(2-methylphenoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-(2-methylphenoxy)propanoyl]amino]benzyl]ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)C(=O)NC2=CC=CC(=C2)C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1O[C@@H](C)C(=O)NC2=CC=CC(=C2)C[NH3+]

InChI

InChI=1S/C17H20N2O2/c1-12-6-3-4-9-16(12)21-13(2)17(20)19-15-8-5-7-14(10-15)11-18/h3-10,13H,11,18H2,1-2H3,(H,19,20)/p+1/t13-/m0/s1