(1-methylpyridin-1-ium-2-yl) 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate

Systemtic Name: (1-methylpyridin-1-ium-2-yl) 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (1-methylpyridin-1-ium-2-yl) 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (1-methyl-2-pyridin-1-iumyl) ester IUPAC Name: (1-methylpyridin-1-ium-2-yl) 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (1-methylpyridin-1-ium-2-yl) ester Formula: C17H17ClNO4+ MolecularWeight: 334.77418

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1OC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[N+]1=CC=CC=C1OC(=O)CC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H17ClNO4/c1-19-6-3-2-5-15(19)23-16(20)11-12-9-13(18)17-14(10-12)21-7-4-8-22-17/h2-3,5-6,9-10H,4,7-8,11H2,1H3/q+1