4-[(7-bromanyl-9H-fluoren-2-yl)sulfonyl]-1,1-dimethyl-1,4-diazepan-1-ium iodide

Systemtic Name: 4-[(7-bromanyl-9H-fluoren-2-yl)sulfonyl]-1,1-dimethyl-1,4-diazepan-1-ium iodide Openeye Name: 4-[(7-bromo-9H-fluoren-2-yl)sulfonyl]-1,1-dimethyl-1,4-diazepan-1-ium iodide CAS Name: 4-[(7-bromo-9H-fluoren-2-yl)sulfonyl]-1,1-dimethyl-1,4-diazepan-1-ium iodide IUPAC Name: 4-[(7-bromo-9H-fluoren-2-yl)sulfonyl]-1,1-dimethyl-1,4-diazepan-1-ium iodide Traditional Name: 4-[(7-bromo-9H-fluoren-2-yl)sulfonyl]-1,1-dimethyl-1,4-diazepan-1-ium iodide Formula: C20H24BrIN2O2S MolecularWeight: 563.29023

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)Br)C.[I-]

Isomeric SMILES

C[N+]1(CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)Br)C.[I-]

InChI

InChI=1S/C20H24BrN2O2S.HI/c1-23(2)10-3-8-22(9-11-23)26(24,25)18-5-7-20-16(14-18)12-15-13-17(21)4-6-19(15)20;/h4-7,13-14H,3,8-12H2,1-2H3;1H/q+1;/p-1