2-[7-bromanyl-1-(2,5-dimethylphenyl)heptyl]sulfonyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[7-bromanyl-1-(2,5-dimethylphenyl)heptyl]sulfonyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[7-bromo-1-(2,5-dimethylphenyl)heptyl]sulfonyl-1-oxido-pyridin-1-ium CAS Name: 2-[7-bromo-1-(2,5-dimethylphenyl)heptyl]sulfonyl-1-oxidopyridin-1-ium IUPAC Name: 2-[7-bromo-1-(2,5-dimethylphenyl)heptyl]sulfonyl-1-oxidopyridin-1-ium Traditional Name: 2-[7-bromo-1-(2,5-dimethylphenyl)heptyl]sulfonyl-1-oxido-pyridin-1-ium Formula: C20H26BrNO3S MolecularWeight: 440.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CCCCCCBr)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CCCCCCBr)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H26BrNO3S/c1-16-11-12-17(2)18(15-16)19(9-5-3-4-7-13-21)26(24,25)20-10-6-8-14-22(20)23/h6,8,10-12,14-15,19H,3-5,7,9,13H2,1-2H3