3-[3-methylbutanoyl-(2-methylphenyl)amino]propylazanium

Systemtic Name: 3-[3-methylbutanoyl-(2-methylphenyl)amino]propylazanium Openeye Name: 3-[2-methyl-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(2-methyl-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[2-methyl-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(N-isovaleryl-2-methyl-anilino)propylammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCC[NH3+])C(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1N(CCC[NH3+])C(=O)CC(C)C

InChI

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