3-[(4-chlorophenyl)-(3-methylbutanoyl)amino]propylazanium

Systemtic Name: 3-[(4-chlorophenyl)-(3-methylbutanoyl)amino]propylazanium Openeye Name: 3-[4-chloro-N-(3-methylbutanoyl)anilino]propylammonium CAS Name: 3-(4-chloro-N-(3-methyl-1-oxobutyl)anilino)propylammonium IUPAC Name: 3-[4-chloro-N-(3-methylbutanoyl)anilino]propylazanium Traditional Name: 3-(4-chloro-N-isovaleryl-anilino)propylammonium Formula: C14H22ClN2O+ MolecularWeight: 269.79028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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