[(2S)-1-[2-(3-chlorophenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(3-chlorophenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(3-chlorophenyl)ethylcarbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[2-(3-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(3-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-(3-chlorophenyl)ethylcarbamoyl]-2-methyl-propyl]ammonium Formula: C13H20ClN2O+ MolecularWeight: 255.7637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC(=CC=C1)Cl)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC(=CC=C1)Cl)[NH3+]

InChI

InChI=1S/C13H19ClN2O/c1-9(2)12(15)13(17)16-7-6-10-4-3-5-11(14)8-10/h3-5,8-9,12H,6-7,15H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1