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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-[(3,4-dimethylphenoxy)methyl]-3-isoxazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]methanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCC4)C

InChI

InChI=1S/C22H29N3O3/c1-16-7-8-19(13-17(16)2)27-15-20-14-21(23-28-20)22(26)25-11-9-24(10-12-25)18-5-3-4-6-18/h7-8,13-14,18H,3-6,9-12,15H2,1-2H3/p+1