3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(piazthiol-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C24H32N6OS+2 MolecularWeight: 452.61548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NSN=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H30N6OS/c31-24(30-14-12-29(13-15-30)23-5-1-2-10-25-23)9-7-19-4-3-11-28(17-19)18-20-6-8-21-22(16-20)27-32-26-21/h1-2,5-6,8,10,16,19H,3-4,7,9,11-15,17-18H2/p+2/t19-/m1/s1