1,4-diazepan-4-ium-1-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C14H19N2O3+ MolecularWeight: 263.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H18N2O3/c17-14(16-6-1-4-15-5-7-16)11-2-3-12-13(10-11)19-9-8-18-12/h2-3,10,15H,1,4-9H2/p+1