2-[(2S)-4-(1,2-oxazol-3-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,2-oxazol-3-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-isoxazolylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,2-oxazol-3-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(isoxazol-3-ylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=NOC=C2)CCO)CC3=CC=CS3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=NOC=C2)CCO)CC3=CC=CS3

InChI

InChI=1S/C15H21N3O2S/c19-7-3-14-11-17(10-13-4-8-20-16-13)5-6-18(14)12-15-2-1-9-21-15/h1-2,4,8-9,14,19H,3,5-7,10-12H2/p+1/t14-/m0/s1