2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C15H14ClNO3S MolecularWeight: 323.79456

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=CC=CC=[N+]3[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=CC=CC=[N+]3[O-])Cl)OC1

InChI

InChI=1S/C15H14ClNO3S/c16-12-8-11(9-13-15(12)20-7-3-6-19-13)10-21-14-4-1-2-5-17(14)18/h1-2,4-5,8-9H,3,6-7,10H2