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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]isoxazol-3-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-[(3-methoxyphenoxy)methyl]-3-isoxazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]isoxazol-3-yl]methanone Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C21H27N3O4/c1-26-17-7-4-8-18(13-17)27-15-19-14-20(22-28-19)21(25)24-11-9-23(10-12-24)16-5-2-3-6-16/h4,7-8,13-14,16H,2-3,5-6,9-12,15H2,1H3/p+1