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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ium-4-yl-propan-1-one Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CC[NH+]3CCOCC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CC[NH+]3CCOCC3)OC1

InChI

InChI=1S/C16H21NO4/c18-14(4-5-17-6-10-19-11-7-17)13-2-3-15-16(12-13)21-9-1-8-20-15/h2-3,12H,1,4-11H2/p+1