1-[3-[[3-[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]carbonyl-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

Systemtic Name: 1-[3-[[3-[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]carbonyl-1,2-oxazol-5-yl]methoxy]phenyl]ethanone Openeye Name: 1-[3-[[3-[(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-carbonyl]isoxazol-5-yl]methoxy]phenyl]ethanone CAS Name: 1-[3-[[3-[[(2S)-4-methyl-2-propan-2-yl-1-piperazin-4-iumyl]-oxomethyl]-5-isoxazolyl]methoxy]phenyl]ethanone IUPAC Name: 1-[3-[[3-[(2S)-4-methyl-2-propan-2-ylpiperazin-4-ium-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone Traditional Name: 1-[3-[[3-[(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-carbonyl]isoxazol-5-yl]methoxy]phenyl]ethanone Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](CCN1C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC(C)[C@H]1C[NH+](CCN1C(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C21H27N3O4/c1-14(2)20-12-23(4)8-9-24(20)21(26)19-11-18(28-22-19)13-27-17-7-5-6-16(10-17)15(3)25/h5-7,10-11,14,20H,8-9,12-13H2,1-4H3/p+1/t20-/m1/s1