(2S)-1-morpholin-4-ium-4-yl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2S)-1-morpholin-4-ium-4-yl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-(4-morpholin-4-iumyl)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2S)-1-morpholin-4-ium-4-yl-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2S)-1-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C17H24N5O2S+ MolecularWeight: 362.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2S/c1-2-7-22-16(14-3-5-18-6-4-14)19-20-17(22)25-13-15(23)12-21-8-10-24-11-9-21/h2-6,15,23H,1,7-13H2/p+1/t15-/m0/s1