2-[(3S)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-3-piperidyl]-1,3-benzothiazole Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H24N4O2S2/c26-29(27,25-12-3-4-13-25)17-9-10-20(22-14-17)24-11-5-6-16(15-24)21-23-18-7-1-2-8-19(18)28-21/h1-2,7-10,14,16H,3-6,11-13,15H2/p+1/t16-/m0/s1