[3-(4-propan-2-yloxybutanoylamino)phenyl]methylazanium

Systemtic Name: [3-(4-propan-2-yloxybutanoylamino)phenyl]methylazanium Openeye Name: [3-(4-isopropoxybutanoylamino)phenyl]methylammonium CAS Name: [3-[(1-oxo-4-propan-2-yloxybutyl)amino]phenyl]methylammonium IUPAC Name: [3-(4-propan-2-yloxybutanoylamino)phenyl]methylazanium Traditional Name: [3-(4-isopropoxybutanoylamino)benzyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCC(=O)NC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CC(C)OCCCC(=O)NC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C14H22N2O2/c1-11(2)18-8-4-7-14(17)16-13-6-3-5-12(9-13)10-15/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17)/p+1