1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride

Systemtic Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride Openeye Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride CAS Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholin-4-iumyl)-1-propanone chloride IUPAC Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride Traditional Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one chloride Formula: C18H26ClNO4 MolecularWeight: 355.85634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)CC[NH+]3CCOCC3)OCCCO2.[Cl-]

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)CC[NH+]3CCOCC3)OCCCO2.[Cl-]

InChI

InChI=1S/C18H25NO4.ClH/c1-2-14-12-17-18(23-9-3-8-22-17)13-15(14)16(20)4-5-19-6-10-21-11-7-19;/h12-13H,2-11H2,1H3;1H