(4R)-4-(4-methylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-butanoate

Systemtic Name: (4R)-4-(4-methylpiperazin-4-ium-1-yl)-4-thiophen-2-yl-butanoate Openeye Name: (4R)-4-(4-methylpiperazin-4-ium-1-yl)-4-(2-thienyl)butanoate CAS Name: (4R)-4-(4-methyl-1-piperazin-4-iumyl)-4-thiophen-2-ylbutanoate IUPAC Name: (4R)-4-(4-methylpiperazin-4-ium-1-yl)-4-thiophen-2-ylbutanoate Traditional Name: (4R)-4-(4-methylpiperazin-4-ium-1-yl)-4-(2-thienyl)butyrate Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CCC(=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CCC(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H20N2O2S/c1-14-6-8-15(9-7-14)11(4-5-13(16)17)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,16,17)/t11-/m1/s1