2-(3,3-dimethyl-7-methylsulfonyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(3,3-dimethyl-7-methylsulfonyl-2H-1-benzoxepin-5-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-(3,3-dimethyl-7-methylsulfonyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium CAS Name: 2-(3,3-dimethyl-7-methylsulfonyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium IUPAC Name: 2-(3,3-dimethyl-7-methylsulfonyl-2H-1-benzoxepin-5-yl)-1-oxidopyridin-1-ium Traditional Name: 2-(7-mesyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)S(=O)(=O)C)C(=C1)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)S(=O)(=O)C)C(=C1)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C18H19NO4S/c1-18(2)11-15(16-6-4-5-9-19(16)20)14-10-13(24(3,21)22)7-8-17(14)23-12-18/h4-11H,12H2,1-3H3