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

Systemtic Name: 3-[3-methylbutanoyl-(3-methylphenyl)amino]propylazanium Openeye Name: 3-[3-methyl-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(3-methyl-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[3-methyl-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(N-isovaleryl-3-methyl-anilino)propylammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC[NH3+])C(=O)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC[NH3+])C(=O)CC(C)C

InChI

InChI=1S/C15H24N2O/c1-12(2)10-15(18)17(9-5-8-16)14-7-4-6-13(3)11-14/h4,6-7,11-12H,5,8-10,16H2,1-3H3/p+1