2-[2-(4-bromophenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]-5-aza-1-azoniabicyclo[4.2.0]octa-1,3,5-trien-7-ol

Systemtic Name: 2-[2-(4-bromophenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]-5-aza-1-azoniabicyclo[4.2.0]octa-1,3,5-trien-7-ol Openeye Name: 2-[2-(4-bromophenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]-5-aza-1-azoniabicyclo[4.2.0]octa-1,3,5-trien-7-ol CAS Name: 2-[2-(4-bromophenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]-5-aza-1-azoniabicyclo[4.2.0]octa-1,3,5-trien-7-ol IUPAC Name: 2-[2-(4-bromophenyl)sulfonyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]-5-aza-1-azoniabicyclo[4.2.0]octa-1,3,5-trien-7-ol Traditional Name: 2-(2-brosyl-2,5-diazabicyclo[2.2.1]heptan-5-yl)-5-aza-1-azoniabicyclo[4.2.0]octa-1,3,5-trien-7-ol Formula: C17H18BrN4O3S+ MolecularWeight: 438.31882

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1CN2S(=O)(=O)C3=CC=C(C=C3)Br)C4=[N+]5CC(C5=NC=C4)O

Isomeric SMILES

C1C2CN(C1CN2S(=O)(=O)C3=CC=C(C=C3)Br)C4=[N+]5CC(C5=NC=C4)O

InChI

InChI=1S/C17H18BrN4O3S/c18-11-1-3-14(4-2-11)26(24,25)22-9-12-7-13(22)8-20(12)16-5-6-19-17-15(23)10-21(16)17/h1-6,12-13,15,23H,7-10H2/q+1