2-[1-(2,5-diethylphenyl)ethylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-diethylphenyl)ethylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-diethylphenyl)ethylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-diethylphenyl)ethylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-diethylphenyl)ethylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-diethylphenyl)ethylsulfonyl]-1-oxido-pyridin-1-ium Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(C)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(C)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H21NO3S/c1-4-14-9-10-15(5-2)16(12-14)13(3)22(20,21)17-8-6-7-11-18(17)19/h6-13H,4-5H2,1-3H3