[3-(2-ethylbutanoylamino)phenyl]methylazanium

Systemtic Name: [3-(2-ethylbutanoylamino)phenyl]methylazanium Openeye Name: [3-(2-ethylbutanoylamino)phenyl]methylammonium CAS Name: [3-[(2-ethyl-1-oxobutyl)amino]phenyl]methylammonium IUPAC Name: [3-(2-ethylbutanoylamino)phenyl]methylazanium Traditional Name: [3-(2-ethylbutanoylamino)benzyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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