3-[(2-chlorophenyl)-(2,2-dimethylpropanoyl)amino]propylazanium

Systemtic Name: 3-[(2-chlorophenyl)-(2,2-dimethylpropanoyl)amino]propylazanium Openeye Name: 3-[2-chloro-N-(2,2-dimethylpropanoyl)anilino]propylammonium CAS Name: 3-(2-chloro-N-(2,2-dimethyl-1-oxopropyl)anilino)propylammonium IUPAC Name: 3-[2-chloro-N-(2,2-dimethylpropanoyl)anilino]propylazanium Traditional Name: 3-(2-chloro-N-pivaloyl-anilino)propylammonium Formula: C14H22ClN2O+ MolecularWeight: 269.79028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CCC[NH3+])C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)(C)C(=O)N(CCC[NH3+])C1=CC=CC=C1Cl

InChI

InChI=1S/C14H21ClN2O/c1-14(2,3)13(18)17(10-6-9-16)12-8-5-4-7-11(12)15/h4-5,7-8H,6,9-10,16H2,1-3H3/p+1