dimethyl-(2-oxidanylidenepropyl)-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-(2-oxidanylidenepropyl)-(phenylmethyl)azanium chloride Openeye Name: acetonyl-benzyl-dimethyl-ammonium chloride CAS Name: dimethyl-(2-oxopropyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dimethyl-(2-oxopropyl)azanium chloride Traditional Name: acetonyl-benzyl-dimethyl-ammonium chloride Formula: C12H18ClNO MolecularWeight: 227.73042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C12H18NO.ClH/c1-11(14)9-13(2,3)10-12-7-5-4-6-8-12;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1