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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-13-10-15(19-24-13)11-20-6-8-21(9-7-20)17(22)12-23-16-4-2-14(18)3-5-16/h2-5,10H,6-9,11-12H2,1H3/p+1