methyl (2R)-4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(3-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=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

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

InChI

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