1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-one Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-one CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidin-1-iumone IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-one Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-one Formula: C14H17ClNO3+ MolecularWeight: 282.74268

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C14H16ClNO3/c15-12-5-10(7-16-3-1-13(17)2-4-16)14-11(6-12)8-18-9-19-14/h5-6H,1-4,7-9H2/p+1