[4-(2-ethylbutanoylamino)phenyl]methylazanium

Systemtic Name: [4-(2-ethylbutanoylamino)phenyl]methylazanium Openeye Name: [4-(2-ethylbutanoylamino)phenyl]methylammonium CAS Name: [4-[(2-ethyl-1-oxobutyl)amino]phenyl]methylammonium IUPAC Name: [4-(2-ethylbutanoylamino)phenyl]methylazanium Traditional Name: [4-(2-ethylbutanoylamino)benzyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-3-11(4-2)13(16)15-12-7-5-10(9-14)6-8-12/h5-8,11H,3-4,9,14H2,1-2H3,(H,15,16)/p+1