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

Systemtic Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-thiomorpholino-ethyl)-4-m-anisyl-piperazin-4-ium-2-one Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-24-15-4-2-3-14(11-15)13-21-6-5-19-18(23)16(21)12-17(22)20-7-9-25-10-8-20/h2-4,11,16H,5-10,12-13H2,1H3,(H,19,23)/p+1/t16-/m1/s1