3-methyl-5-[[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-methyl-5-[[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-methyl-5-[[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-methyl-5-[[4-[2-[(S)-phenylsulfinyl]ethyl]-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-methyl-5-[[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-methyl-5-[[4-[2-[(S)-phenylsulfinyl]ethyl]piperazin-1-ium-1-yl]methyl]isoxazole Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)CCS(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)CC[S@](=O)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O2S/c1-15-13-16(22-18-15)14-20-9-7-19(8-10-20)11-12-23(21)17-5-3-2-4-6-17/h2-6,13H,7-12,14H2,1H3/p+1/t23-/m0/s1