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(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]propane-1,2-diol

(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]propane-1,2-diol

Systemtic Name:(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]propane-1,2-diol
Openeye Name:(2R)-3-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]propane-1,2-diol
CAS Name:(2R)-3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]propane-1,2-diol
IUPAC Name:(2R)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]propane-1,2-diol
Traditional Name:(2R)-3-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]propane-1,2-diol
Formula: C16H23N2O2S+
MolecularWeight: 307.43102
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)CC(CO)O


Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C[C@H](CO)O


InChI

InChI=1S/C16H22N2O2S/c19-11-14(20)10-18-7-5-17(6-8-18)9-13-12-21-16-4-2-1-3-15(13)16/h1-4,12,14,19-20H,5-11H2/p+1/t14-/m1/s1


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