6-[3,4-bis(oxidanyl)phenyl]-4-(2-bromophenyl)-5-nitro-1-(pyridin-3-ylmethyl)piperidin-1-ium-2-one

Systemtic Name: 6-[3,4-bis(oxidanyl)phenyl]-4-(2-bromophenyl)-5-nitro-1-(pyridin-3-ylmethyl)piperidin-1-ium-2-one Openeye Name: 4-(2-bromophenyl)-6-(3,4-dihydroxyphenyl)-5-nitro-1-(3-pyridylmethyl)piperidin-1-ium-2-one CAS Name: 4-(2-bromophenyl)-6-(3,4-dihydroxyphenyl)-5-nitro-1-(3-pyridinylmethyl)-2-piperidin-1-iumone IUPAC Name: 4-(2-bromophenyl)-6-(3,4-dihydroxyphenyl)-5-nitro-1-(pyridin-3-ylmethyl)piperidin-1-ium-2-one Traditional Name: 4-(2-bromophenyl)-6-(3,4-dihydroxyphenyl)-5-nitro-1-(3-pyridylmethyl)piperidin-1-ium-2-one Formula: C23H21BrN3O5+ MolecularWeight: 499.33394

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C([NH+](C1=O)CC2=CN=CC=C2)C3=CC(=C(C=C3)O)O)[N+](=O)[O-])C4=CC=CC=C4Br

Isomeric SMILES

C1C(C(C([NH+](C1=O)CC2=CN=CC=C2)C3=CC(=C(C=C3)O)O)[N+](=O)[O-])C4=CC=CC=C4Br

InChI

InChI=1S/C23H20BrN3O5/c24-18-6-2-1-5-16(18)17-11-21(30)26(13-14-4-3-9-25-12-14)22(23(17)27(31)32)15-7-8-19(28)20(29)10-15/h1-10,12,17,22-23,28-29H,11,13H2/p+1