methyl (2S)-4-thiophen-2-ylcarbonylpiperazin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-4-thiophen-2-ylcarbonylpiperazin-1-ium-2-carboxylate Openeye Name: methyl (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxylate CAS Name: (2S)-4-[oxo(thiophen-2-yl)methyl]-2-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(thiophene-2-carbonyl)piperazin-1-ium-2-carboxylate Traditional Name: (2S)-4-(2-thenoyl)piperazin-1-ium-2-carboxylic acid methyl ester Formula: C11H15N2O3S+ MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC[NH2+]1)C(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)C2=CC=CS2

InChI

InChI=1S/C11H14N2O3S/c1-16-11(15)8-7-13(5-4-12-8)10(14)9-3-2-6-17-9/h2-3,6,8,12H,4-5,7H2,1H3/p+1/t8-/m0/s1