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

Systemtic Name: 3-[(3-chlorophenyl)-(2,2-dimethylpropanoyl)amino]propylazanium Openeye Name: 3-[3-chloro-N-(2,2-dimethylpropanoyl)anilino]propylammonium CAS Name: 3-(3-chloro-N-(2,2-dimethyl-1-oxopropyl)anilino)propylammonium IUPAC Name: 3-[3-chloro-N-(2,2-dimethylpropanoyl)anilino]propylazanium Traditional Name: 3-(3-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=C1)Cl

Isomeric SMILES

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

InChI

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