(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(3,5-dimethoxybenzyl)-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCSCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCSCC3)OC

InChI

InChI=1S/C19H27N3O4S/c1-25-15-9-14(10-16(11-15)26-2)13-22-4-3-20-19(24)17(22)12-18(23)21-5-7-27-8-6-21/h9-11,17H,3-8,12-13H2,1-2H3,(H,20,24)/p+1/t17-/m1/s1