[5-[(4-chloranyl-2-methoxy-phenoxy)methyl]-1,2-oxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-[(4-chloranyl-2-methoxy-phenoxy)methyl]-1,2-oxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-[(4-chloro-2-methoxy-phenoxy)methyl]isoxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-[(4-chloro-2-methoxyphenoxy)methyl]-3-isoxazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-[(4-chloro-2-methoxy-phenoxy)methyl]isoxazol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H21ClN3O4+ MolecularWeight: 366.81934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NOC(=C2)COC3=C(C=C(C=C3)Cl)OC

InChI

InChI=1S/C17H20ClN3O4/c1-20-5-7-21(8-6-20)17(22)14-10-13(25-19-14)11-24-15-4-3-12(18)9-16(15)23-2/h3-4,9-10H,5-8,11H2,1-2H3/p+1