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

Systemtic Name: methyl (2R)-4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C19H27N3O3S/c1-15-5-3-4-6-16(15)21-9-7-20(8-10-21)14-18(23)22-11-12-26-17(13-22)19(24)25-2/h3-6,17H,7-14H2,1-2H3/p+1/t17-/m1/s1