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

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[5-[(3,4-dimethylphenoxy)methyl]-3-isoxazolyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]methanone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-17-8-9-20(14-18(17)2)28-16-21-15-22(24-29-21)23(27)26-12-10-25(11-13-26)19-6-4-3-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3/p+1