[4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]methylazanium Openeye Name: [4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]methylammonium CAS Name: [4-[[(2S)-2-(4-methylphenoxy)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]methylazanium Traditional Name: [4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzyl]ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

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