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

Systemtic Name: (2S)-1-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(C[NH+]4CCOCC4)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SC[C@H](C[NH+]4CCOCC4)O

InChI

InChI=1S/C21H30N4O2S/c26-19(15-24-11-13-27-14-12-24)16-28-21-22-20(17-7-3-1-4-8-17)25(23-21)18-9-5-2-6-10-18/h2,5-6,9-10,17,19,26H,1,3-4,7-8,11-16H2/p+1/t19-/m0/s1