2-[(2S)-4-[(3-chloranylthiophen-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-chloranylthiophen-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-chloro-2-thienyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-chloro-2-thiophenyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-chlorothiophen-2-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-chloro-2-thienyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C12H20ClN2OS+ MolecularWeight: 275.818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=C(C=CS2)Cl

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=C(C=CS2)Cl

InChI

InChI=1S/C12H19ClN2OS/c1-14-4-5-15(8-10(14)2-6-16)9-12-11(13)3-7-17-12/h3,7,10,16H,2,4-6,8-9H2,1H3/p+1/t10-/m0/s1