2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21NO3/c18-14(12-17-7-3-1-2-4-8-17)13-5-6-15-16(11-13)20-10-9-19-15/h5-6,11H,1-4,7-10,12H2/p+1