(8-chloranyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynyl-azanium chloride

Systemtic Name: (8-chloranyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynyl-azanium chloride Openeye Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynyl-ammonium chloride CAS Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylammonium chloride IUPAC Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-prop-2-ynylazanium chloride Traditional Name: (8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-methyl-propargyl-ammonium chloride Formula: C14H17Cl2NO MolecularWeight: 286.19688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC#C)C1CCCOC2=C1C=CC(=C2)Cl.[Cl-]

Isomeric SMILES

C[NH+](CC#C)C1CCCOC2=C1C=CC(=C2)Cl.[Cl-]

InChI

InChI=1S/C14H16ClNO.ClH/c1-3-8-16(2)13-5-4-9-17-14-10-11(15)6-7-12(13)14;/h1,6-7,10,13H,4-5,8-9H2,2H3;1H