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

Systemtic Name: 3-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C25H33N5OS+2 MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3S2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3S2)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H31N5OS/c31-25(30-16-14-29(15-17-30)23-9-3-4-12-26-23)11-10-20-6-5-13-28(18-20)19-24-27-21-7-1-2-8-22(21)32-24/h1-4,7-9,12,20H,5-6,10-11,13-19H2/p+2/t20-/m1/s1