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

Systemtic Name: (3R)-3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(2-oxo-2-thiomorpholino-ethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-4-[(4-phenylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(2-oxo-2-thiomorpholin-4-ylethyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-thiomorpholino-ethyl)-4-(4-phenylbenzyl)piperazin-4-ium-2-one Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N2CCSCC2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N2CCSCC2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-22(25-12-14-29-15-13-25)16-21-23(28)24-10-11-26(21)17-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,21H,10-17H2,(H,24,28)/p+1/t21-/m1/s1