3-[(2,4-dimethylphenyl)-(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[(2,4-dimethylphenyl)-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[2,4-dimethyl-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(2,4-dimethyl-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[2,4-dimethyl-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(N-isovaleryl-2,4-dimethyl-anilino)propylammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12(2)10-16(19)18(9-5-8-17)15-7-6-13(3)11-14(15)4/h6-7,11-12H,5,8-10,17H2,1-4H3/p+1