(3-chloranyl-2,2-dimethyl-3-oxidanylidene-propyl)-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: (3-chloranyl-2,2-dimethyl-3-oxidanylidene-propyl)-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: (3-chloro-2,2-dimethyl-3-oxo-propyl)-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: (3-chloro-2,2-dimethyl-3-oxopropyl)-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: (3-chloro-2,2-dimethyl-3-oxopropyl)-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: (3-chloro-3-keto-2,2-dimethyl-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[NH+](C)CCC1=CC=NC=C1)C(=O)Cl

Isomeric SMILES

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

InChI

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