N-[[2,4-bis(bromanyl)-6-oxidanyl-phenyl]methyl]pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[2,4-bis(bromanyl)-6-oxidanyl-phenyl]methyl]pyridin-1-ium-4-carboxamide Openeye Name: N-[(2,4-dibromo-6-hydroxy-phenyl)methyl]pyridin-1-ium-4-carboxamide CAS Name: N-[(2,4-dibromo-6-hydroxyphenyl)methyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(2,4-dibromo-6-hydroxyphenyl)methyl]pyridin-1-ium-4-carboxamide Traditional Name: N-(2,4-dibromo-6-hydroxy-benzyl)pyridin-1-ium-4-carboxamide Formula: C26H22Br4N4O4+2 MolecularWeight: 774.09328

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1C(=O)NCC2=C(C=C(C=C2O)Br)Br.C1=C[NH+]=CC=C1C(=O)NCC2=C(C=C(C=C2O)Br)Br

Isomeric SMILES

C1=C[NH+]=CC=C1C(=O)NCC2=C(C=C(C=C2O)Br)Br.C1=C[NH+]=CC=C1C(=O)NCC2=C(C=C(C=C2O)Br)Br

InChI

InChI=1S/2C13H10Br2N2O2/c2*14-9-5-11(15)10(12(18)6-9)7-17-13(19)8-1-3-16-4-2-8/h2*1-6,18H,7H2,(H,17,19)/p+2