2-[(3-chlorophenyl)-(3-methylbutanoyl)amino]ethylazanium

Systemtic Name: 2-[(3-chlorophenyl)-(3-methylbutanoyl)amino]ethylazanium Openeye Name: 2-[3-chloro-N-(3-methylbutanoyl)anilino]ethylammonium CAS Name: 2-(3-chloro-N-(3-methyl-1-oxobutyl)anilino)ethylammonium IUPAC Name: 2-[3-chloro-N-(3-methylbutanoyl)anilino]ethylazanium Traditional Name: 2-(3-chloro-N-isovaleryl-anilino)ethylammonium Formula: C13H20ClN2O+ MolecularWeight: 255.7637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O/c1-10(2)8-13(17)16(7-6-15)12-5-3-4-11(14)9-12/h3-5,9-10H,6-8,15H2,1-2H3/p+1