[(2S)-1-chloranyl-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: [(2S)-1-chloranyl-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [(1S)-1-chlorocarbonyl-2-methyl-propyl]-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [(2S)-1-chloro-3-methyl-1-oxobutan-2-yl]-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [(2S)-1-chloro-3-methyl-1-oxobutan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [(1S)-1-chlorocarbonyl-2-methyl-propyl]-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C13H20ClN2O+ MolecularWeight: 255.7637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)Cl)[NH+](C)CCC1=CC=NC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)Cl)[NH+](C)CCC1=CC=NC=C1

InChI

InChI=1S/C13H19ClN2O/c1-10(2)12(13(14)17)16(3)9-6-11-4-7-15-8-5-11/h4-5,7-8,10,12H,6,9H2,1-3H3/p+1/t12-/m0/s1