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

Systemtic Name: 2-[(2S)-4-(pyridin-4-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(4-pyridylmethyl)-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(pyridin-4-ylmethyl)-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(pyridin-4-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-pyridylmethyl)-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=NC=C2)CCO)CC3=CSC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=NC=C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C17H23N3OS/c21-9-3-17-13-19(11-15-1-5-18-6-2-15)7-8-20(17)12-16-4-10-22-14-16/h1-2,4-6,10,14,17,21H,3,7-9,11-13H2/p+1/t17-/m0/s1