(3R)-4-(2,2-diphenylethyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(2,2-diphenylethyl)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-(2,2-diphenylethyl)-3-(2-oxo-2-thiomorpholino-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-(2,2-diphenylethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-4-(2,2-diphenylethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-4-(2,2-diphenylethyl)-3-(2-keto-2-thiomorpholino-ethyl)piperazin-4-ium-2-one Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCSCC2)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCSCC2)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-23(26-13-15-30-16-14-26)17-22-24(29)25-11-12-27(22)18-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-22H,11-18H2,(H,25,29)/p+1/t22-/m1/s1