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

Systemtic Name: 2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4,6-bis(chloranyl)phenolate Openeye Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4,6-dichloro-phenolate CAS Name: 2-[(4-amino-1-piperidin-1-iumyl)methyl]-4,6-dichlorophenolate IUPAC Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4,6-dichlorophenolate Traditional Name: 2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4,6-dichloro-phenolate Formula: C12H16Cl2N2O MolecularWeight: 275.17424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl2N2O/c13-9-5-8(12(17)11(14)6-9)7-16-3-1-10(15)2-4-16/h5-6,10,17H,1-4,7,15H2