1-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCN(C(C2)CCO)C

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCN([C@H](C2)CCO)C

InChI

InChI=1S/C14H22N2O2S/c1-11(18)14-7-12(10-19-14)8-16-5-4-15(2)13(9-16)3-6-17/h7,10,13,17H,3-6,8-9H2,1-2H3/p+1/t13-/m0/s1