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

Systemtic Name: (2S)-1-morpholin-4-ium-4-yl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-morpholin-4-ium-4-yl-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-2-ol CAS Name: (2S)-1-(4-morpholin-4-iumyl)-3-[(1-phenyl-5-tetrazolyl)thio]-2-propanol IUPAC Name: (2S)-1-morpholin-4-ium-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol Traditional Name: (2S)-1-morpholin-4-ium-4-yl-3-[(1-phenyltetrazol-5-yl)thio]propan-2-ol Formula: C14H20N5O2S+ MolecularWeight: 322.4059

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CSC2=NN=NN2C3=CC=CC=C3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](CSC2=NN=NN2C3=CC=CC=C3)O

InChI

InChI=1S/C14H19N5O2S/c20-13(10-18-6-8-21-9-7-18)11-22-14-15-16-17-19(14)12-4-2-1-3-5-12/h1-5,13,20H,6-11H2/p+1/t13-/m0/s1