3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-ium-4-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-ium-4-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-ium-4-yl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(4-piperidin-1-iumyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-ium-4-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-1-ium-4-yl)methanone Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C3CC[NH2+]CC3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)C3CC[NH2+]CC3)OC1

InChI

InChI=1S/C15H19NO3/c17-15(11-4-6-16-7-5-11)12-2-3-13-14(10-12)19-9-1-8-18-13/h2-3,10-11,16H,1,4-9H2/p+1