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

Systemtic Name: methyl (2R)-4-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-15(24)16-3-5-17(6-4-16)22-9-7-21(8-10-22)14-19(25)23-11-12-28-18(13-23)20(26)27-2/h3-6,18H,7-14H2,1-2H3/p+1/t18-/m1/s1