3-[(3,5-dimethylphenyl)-(2-methylpropanoyl)amino]propylazanium

Systemtic Name: 3-[(3,5-dimethylphenyl)-(2-methylpropanoyl)amino]propylazanium Openeye Name: 3-[3,5-dimethyl-N-(2-methylpropanoyl)anilino]propylammonium CAS Name: 3-(3,5-dimethyl-N-(2-methyl-1-oxopropyl)anilino)propylammonium IUPAC Name: 3-[3,5-dimethyl-N-(2-methylpropanoyl)anilino]propylazanium Traditional Name: 3-(N-isobutyryl-3,5-dimethyl-anilino)propylammonium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O/c1-11(2)15(18)17(7-5-6-16)14-9-12(3)8-13(4)10-14/h8-11H,5-7,16H2,1-4H3/p+1