(3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-thiomorpholino-ethyl)-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-one Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCSCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCSCC3)OC

InChI

InChI=1S/C19H27N3O3S/c1-14-11-15(3-4-17(14)25-2)13-22-6-5-20-19(24)16(22)12-18(23)21-7-9-26-10-8-21/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,20,24)/p+1/t16-/m1/s1