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

Systemtic Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one Formula: C18H26NO4+ MolecularWeight: 320.40334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/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/p+1