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

Systemtic Name: 6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]pyridin-1-ium-3-sulfonamide Formula: C15H17ClN3O4S+ MolecularWeight: 370.83118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N)Cl)OC1

InChI

InChI=1S/C15H16ClN3O4S/c16-12-6-10(7-13-15(12)23-5-1-4-22-13)8-18-14-3-2-11(9-19-14)24(17,20)21/h2-3,6-7,9H,1,4-5,8H2,(H,18,19)(H2,17,20,21)/p+1