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

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-1-ium-4-carboxylate Formula: C15H18ClNO4 MolecularWeight: 311.76072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C15H18ClNO4/c16-13-5-11(14-12(6-13)8-20-9-21-14)7-17-3-1-10(2-4-17)15(18)19/h5-6,10H,1-4,7-9H2,(H,18,19)