2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium

Systemtic Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium Openeye Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium CAS Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-5-(1-pyrrolidinylsulfonyl)pyridin-1-ium IUPAC Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium Traditional Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-5-pyrrolidinosulfonyl-pyridin-1-ium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H25N3O4S/c25-29(26,23-9-1-2-10-23)17-6-8-21(22-15-17)24-11-3-4-18(24)16-5-7-19-20(14-16)28-13-12-27-19/h5-8,14-15,18H,1-4,9-13H2/p+1/t18-/m1/s1