6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]pyridin-1-ium-3-sulfonamide Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H21N3O4S/c19-26(22,23)14-5-7-18(20-12-14)21-8-1-3-15(21)13-4-6-16-17(11-13)25-10-2-9-24-16/h4-7,11-12,15H,1-3,8-10H2,(H2,19,22,23)/p+1/t15-/m1/s1