[3-(4-phenoxybutanoylamino)phenyl]methylazanium

Systemtic Name: [3-(4-phenoxybutanoylamino)phenyl]methylazanium Openeye Name: [3-(4-phenoxybutanoylamino)phenyl]methylammonium CAS Name: [3-[(1-oxo-4-phenoxybutyl)amino]phenyl]methylammonium IUPAC Name: [3-(4-phenoxybutanoylamino)phenyl]methylazanium Traditional Name: [3-(4-phenoxybutanoylamino)benzyl]ammonium Formula: C17H21N2O2+ MolecularWeight: 285.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2/c18-13-14-6-4-7-15(12-14)19-17(20)10-5-11-21-16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11,13,18H2,(H,19,20)/p+1