3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one chloride

Systemtic Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one chloride Openeye Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one chloride CAS Name: 3-(1-azepanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propanone chloride IUPAC Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one chloride Traditional Name: 3-(azepan-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one chloride Formula: C17H23ClNO3- MolecularWeight: 324.82242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

InChI

InChI=1S/C17H23NO3.ClH/c19-15(7-10-18-8-3-1-2-4-9-18)14-5-6-16-17(13-14)21-12-11-20-16;/h5-6,13H,1-4,7-12H2;1H/p-1