[2-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(2S)-2-(4-cyanophenoxy)-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1C[NH+](C)C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1C[NH+](C)C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H23N3O2/c1-15(25-19-10-8-16(12-21)9-11-19)20(24)22-13-17-6-4-5-7-18(17)14-23(2)3/h4-11,15H,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m0/s1