2-(4-chloranyl-2-methyl-phenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C18H22ClN3O3/c1-13-9-15(19)3-4-17(13)24-12-18(23)22-7-5-21(6-8-22)11-16-10-14(2)25-20-16/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1