3-[(3,5-dimethylphenyl)-(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[(3,5-dimethylphenyl)-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[3,5-dimethyl-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(3,5-dimethyl-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[3,5-dimethyl-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(N-isovaleryl-3,5-dimethyl-anilino)propylammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12(2)8-16(19)18(7-5-6-17)15-10-13(3)9-14(4)11-15/h9-12H,5-8,17H2,1-4H3/p+1