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

Systemtic Name: (2S)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(C[NH+]4CCOCC4)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC[C@H](C[NH+]4CCOCC4)O

InChI

InChI=1S/C18H24N4O2S/c23-16(12-21-8-10-24-11-9-21)13-25-18-19-17(14-6-7-14)22(20-18)15-4-2-1-3-5-15/h1-5,14,16,23H,6-13H2/p+1/t16-/m0/s1