methyl (2R)-4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O4S/c1-26-19(25)16-13-22(11-12-27-16)17(23)14-20-7-9-21(10-8-20)18(24)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/p+1/t16-/m1/s1