(2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(C[NH+]2CCOCC2)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC[C@H](C[NH+]2CCOCC2)O)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4O2S/c1-2-21-16(14-6-4-3-5-7-14)18-19-17(21)24-13-15(22)12-20-8-10-23-11-9-20/h3-7,15,22H,2,8-13H2,1H3/p+1/t15-/m0/s1