(4-chloranyl-4-oxidanylidene-butyl)-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: (4-chloranyl-4-oxidanylidene-butyl)-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: (4-chloro-4-oxo-butyl)-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: (4-chloro-4-oxobutyl)-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: (4-chloro-4-oxobutyl)-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: (4-chloro-4-keto-butyl)-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C12H18ClN2O+ MolecularWeight: 241.73712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O/c1-15(9-2-3-12(13)16)10-6-11-4-7-14-8-5-11/h4-5,7-8H,2-3,6,9-10H2,1H3/p+1