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

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[3-[(1R)-1-phenylethyl]-1,2-oxazol-5-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[3-[(1R)-1-phenylethyl]isoxazol-5-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[3-[(1R)-1-phenylethyl]-5-isoxazolyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[3-[(1R)-1-phenylethyl]-1,2-oxazol-5-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[3-[(1R)-1-phenylethyl]isoxazol-5-yl]methanone Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=NOC(=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)C2=NOC(=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C22H29N3O2/c1-17(18-8-4-2-5-9-18)20-16-21(27-23-20)22(26)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2,4-5,8-9,16-17,19H,3,6-7,10-15H2,1H3/p+1/t17-/m1/s1