4-tert-butyl-2-[1-(2-ethyl-4-methoxy-phenyl)butylsulfonyl]-3-methyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 4-tert-butyl-2-[1-(2-ethyl-4-methoxy-phenyl)butylsulfonyl]-3-methyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-tert-butyl-2-[1-(2-ethyl-4-methoxy-phenyl)butylsulfonyl]-3-methyl-1-oxido-pyridin-1-ium CAS Name: 4-tert-butyl-2-[1-(2-ethyl-4-methoxyphenyl)butylsulfonyl]-3-methyl-1-oxidopyridin-1-ium IUPAC Name: 4-tert-butyl-2-[1-(2-ethyl-4-methoxyphenyl)butylsulfonyl]-3-methyl-1-oxidopyridin-1-ium Traditional Name: 4-tert-butyl-2-[1-(2-ethyl-4-methoxy-phenyl)butylsulfonyl]-3-methyl-1-oxido-pyridin-1-ium Formula: C23H33NO4S MolecularWeight: 419.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)OC)CC)S(=O)(=O)C2=[N+](C=CC(=C2C)C(C)(C)C)[O-]

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)OC)CC)S(=O)(=O)C2=[N+](C=CC(=C2C)C(C)(C)C)[O-]

InChI

InChI=1S/C23H33NO4S/c1-8-10-21(19-12-11-18(28-7)15-17(19)9-2)29(26,27)22-16(3)20(23(4,5)6)13-14-24(22)25/h11-15,21H,8-10H2,1-7H3