3-[3-methylbutanoyl(phenyl)amino]propylazanium

Systemtic Name: 3-[3-methylbutanoyl(phenyl)amino]propylazanium Openeye Name: 3-[N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(N-isovalerylanilino)propylammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O/c1-12(2)11-14(17)16(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11,15H2,1-2H3/p+1