1,3-benzodioxol-5-yl(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl(1,4-diazepan-4-ium-1-yl)methanone CAS Name: 1,3-benzodioxol-5-yl(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: 1,3-benzodioxol-5-yl(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl(1,4-diazepan-4-ium-1-yl)methanone Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O3/c16-13(15-6-1-4-14-5-7-15)10-2-3-11-12(8-10)18-9-17-11/h2-3,8,14H,1,4-7,9H2/p+1