3-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2C[NH+](CCO2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N4O2S/c1-2-8-21-16(22)18-19-17(21)24-13-15-12-20(9-10-23-15)11-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,22)/p+1/t15-/m1/s1