2-[1-(2,5-dimethylphenyl)propylsulfonyl]-3-methyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-3-methyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-3-methyl-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-3-methyl-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-3-methyl-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-3-methyl-1-oxido-pyridin-1-ium Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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