5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole

Systemtic Name: 5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole Openeye Name: 5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole CAS Name: 5-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]-2,1,3-benzothiadiazole IUPAC Name: 5-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]-2,1,3-benzothiadiazole Traditional Name: 5-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]piazthiole Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CCN(C1)[C@H]2CCC[NH+](C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C16H22N4S/c1-2-9-20(8-1)14-4-3-7-19(12-14)11-13-5-6-15-16(10-13)18-21-17-15/h5-6,10,14H,1-4,7-9,11-12H2/p+1/t14-/m0/s1