2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-6-bromanyl-4-chloranyl-phenolate

Systemtic Name: 2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-6-bromanyl-4-chloranyl-phenolate Openeye Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-6-bromo-4-chloro-phenolate CAS Name: 2-[(4-amino-1-piperidin-1-iumyl)methyl]-6-bromo-4-chlorophenolate IUPAC Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-6-bromo-4-chlorophenolate Traditional Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-6-bromo-4-chloro-phenolate Formula: C12H16BrClN2O MolecularWeight: 319.62524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N)CC2=CC(=CC(=C2[O-])Br)Cl

Isomeric SMILES

C1C[NH+](CCC1N)CC2=CC(=CC(=C2[O-])Br)Cl

InChI

InChI=1S/C12H16BrClN2O/c13-11-6-9(14)5-8(12(11)17)7-16-3-1-10(15)2-4-16/h5-6,10,17H,1-4,7,15H2