2-[(2S)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-1-(2-thienylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-1-(2-thenyl)piperazin-1-ium-2-yl]ethanol Formula: C22H34N4OS+2 MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CC[NH+](C(C2)CCO)CC3=CC=CS3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1N2CC[NH+]([C@H](C2)CCO)CC3=CC=CS3)CC4=CC=CC=N4

InChI

InChI=1S/C22H32N4OS/c27-14-8-21-17-25(12-13-26(21)18-22-5-3-15-28-22)20-6-10-24(11-7-20)16-19-4-1-2-9-23-19/h1-5,9,15,20-21,27H,6-8,10-14,16-18H2/p+2/t21-/m0/s1