3-(azepan-1-ium-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one chloride

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one chloride Openeye Name: 3-(azepan-1-ium-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one chloride CAS Name: 3-(1-azepan-1-iumyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propanone chloride IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one chloride Traditional Name: 3-(azepan-1-ium-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCCO3.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)C2=CC3=C(C=C2)OCCCO3.[Cl-]

InChI

InChI=1S/C18H25NO3.ClH/c20-16(8-11-19-9-3-1-2-4-10-19)15-6-7-17-18(14-15)22-13-5-12-21-17;/h6-7,14H,1-5,8-13H2;1H