5-chloranyl-2-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 5-chloro-2-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 5-chloro-2-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 5-chloro-2-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,3-benzothiazole Formula: C12H14ClN2OS+ MolecularWeight: 269.77036

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC([NH2+]C1)C2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CO[C@@H]1C[C@H]([NH2+]C1)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C12H13ClN2OS/c1-16-8-5-10(14-6-8)12-15-9-4-7(13)2-3-11(9)17-12/h2-4,8,10,14H,5-6H2,1H3/p+1/t8-,10+/m1/s1