dimethyl-[3-(3,5,7-trimethyl-2-oxidanylidene-3H-azepin-1-yl)propyl]azanium chloride

Systemtic Name: dimethyl-[3-(3,5,7-trimethyl-2-oxidanylidene-3H-azepin-1-yl)propyl]azanium chloride Openeye Name: dimethyl-[3-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)propyl]ammonium chloride CAS Name: dimethyl-[3-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)propyl]ammonium chloride IUPAC Name: dimethyl-[3-(3,5,7-trimethyl-2-oxo-3H-azepin-1-yl)propyl]azanium chloride Traditional Name: 3-(2-keto-3,5,7-trimethyl-3H-azepin-1-yl)propyl-dimethyl-ammonium chloride Formula: C14H25ClN2O MolecularWeight: 272.8141

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(N(C1=O)CCC[NH+](C)C)C)C.[Cl-]

Isomeric SMILES

CC1C=C(C=C(N(C1=O)CCC[NH+](C)C)C)C.[Cl-]

InChI

InChI=1S/C14H24N2O.ClH/c1-11-9-12(2)14(17)16(13(3)10-11)8-6-7-15(4)5;/h9-10,12H,6-8H2,1-5H3;1H