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

Systemtic Name: [5-[(4-chloranyl-2-methoxy-phenoxy)methyl]-1,2-oxazol-3-yl]-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-[(4-chloro-2-methoxy-phenoxy)methyl]isoxazol-3-yl]-(4-cyclohexylpiperazin-4-ium-1-yl)methanone CAS Name: [5-[(4-chloro-2-methoxyphenoxy)methyl]-3-isoxazolyl]-(4-cyclohexyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-[(4-chloro-2-methoxy-phenoxy)methyl]isoxazol-3-yl]-(4-cyclohexylpiperazin-4-ium-1-yl)methanone Formula: C22H29ClN3O4+ MolecularWeight: 434.93636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H28ClN3O4/c1-28-21-13-16(23)7-8-20(21)29-15-18-14-19(24-30-18)22(27)26-11-9-25(10-12-26)17-5-3-2-4-6-17/h7-8,13-14,17H,2-6,9-12,15H2,1H3/p+1