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

Systemtic Name: methyl (2R)-4-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C19H27N3O4S/c1-25-16-5-3-15(4-6-16)21-9-7-20(8-10-21)14-18(23)22-11-12-27-17(13-22)19(24)26-2/h3-6,17H,7-14H2,1-2H3/p+1/t17-/m1/s1