2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C15H23N4OS+ MolecularWeight: 307.43432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=NN2)CCO)CC3=CC=CS3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=NN2)CCO)CC3=CC=CS3

InChI

InChI=1S/C15H22N4OS/c20-8-4-14-11-18(10-13-3-5-16-17-13)6-7-19(14)12-15-2-1-9-21-15/h1-3,5,9,14,20H,4,6-8,10-12H2,(H,16,17)/p+1/t14-/m0/s1