2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C25H25N3O2S/c26-16-23-22(19-7-3-1-4-8-19)15-24(20-9-5-2-6-10-20)27-25(23)31-18-21(29)17-28-11-13-30-14-12-28/h1-10,15,21,29H,11-14,17-18H2/p+1/t21-/m0/s1