[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-21(24-13-11-23(12-14-24)16-17-6-5-15-26-17)19-9-4-10-22-20(19)27-18-7-2-1-3-8-18/h1-4,7-10,17H,5-6,11-16H2/p+1/t17-/m1/s1