6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O2S2/c1-3-23(4-2)28(25,26)15-11-12-19(21-14-15)24-13-7-9-17(24)20-22-16-8-5-6-10-18(16)27-20/h5-6,8,10-12,14,17H,3-4,7,9,13H2,1-2H3/p+1/t17-/m1/s1