4-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C20H23N4O3S2+ MolecularWeight: 431.55162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H22N4O3S2/c25-29(26,23-10-12-27-13-11-23)15-7-8-19(21-14-15)24-9-3-5-17(24)20-22-16-4-1-2-6-18(16)28-20/h1-2,4,6-8,14,17H,3,5,9-13H2/p+1/t17-/m0/s1