1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ium-4-yl-butan-1-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ium-4-yl-butan-1-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ium-4-yl-butan-1-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-morpholin-4-iumyl)-1-butanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ium-4-ylbutan-1-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-ium-4-yl-butan-1-one Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1COCC[NH+]1CCCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21NO4/c18-14(2-1-5-17-6-8-19-9-7-17)13-3-4-15-16(12-13)21-11-10-20-15/h3-4,12H,1-2,5-11H2/p+1