(3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-pyridin-1-ium-2-ylpiperazino)-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-ol Formula: C18H27N5OS+2 MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC4=NC=CS4

InChI

InChI=1S/C18H25N5OS/c24-16-13-21(14-18-20-6-12-25-18)7-4-15(16)22-8-10-23(11-9-22)17-3-1-2-5-19-17/h1-3,5-6,12,15-16,24H,4,7-11,13-14H2/p+2/t15-,16-/m1/s1