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

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2-oxazol-3-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methoxy-4-methyl-phenoxy)methyl]isoxazol-3-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[5-[(2-methoxy-4-methylphenoxy)methyl]-3-isoxazolyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(2-methoxy-4-methyl-phenoxy)methyl]isoxazol-3-yl]methanone Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCCC4)OC

InChI

InChI=1S/C23H31N3O4/c1-17-8-9-21(22(14-17)28-2)29-16-19-15-20(24-30-19)23(27)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h8-9,14-15,18H,3-7,10-13,16H2,1-2H3/p+1