[5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: [5-[(2-methoxy-4-methyl-phenoxy)methyl]isoxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: [5-[(2-methoxy-4-methylphenoxy)methyl]-3-isoxazolyl]-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: [5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: [5-[(2-methoxy-4-methyl-phenoxy)methyl]isoxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3C4=CC=CC=C4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](C[C@@H]3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C24H27N3O4/c1-17-9-10-22(23(13-17)29-3)30-16-19-14-20(25-31-19)24(28)27-12-11-26(2)15-21(27)18-7-5-4-6-8-18/h4-10,13-14,21H,11-12,15-16H2,1-3H3/p+1/t21-/m1/s1