1-[4-[[3-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-1,2-oxazol-5-yl]methoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[[3-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-1,2-oxazol-5-yl]methoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[[3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)isoxazol-5-yl]methoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[[3-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]-5-isoxazolyl]methoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[[3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-1,2-oxazol-5-yl]methoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[[3-(4-cyclopentylpiperazin-4-ium-1-carbonyl)isoxazol-5-yl]methoxy]-3-methoxy-phenyl]ethanone Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-16(27)17-7-8-21(22(13-17)29-2)30-15-19-14-20(24-31-19)23(28)26-11-9-25(10-12-26)18-5-3-4-6-18/h7-8,13-14,18H,3-6,9-12,15H2,1-2H3/p+1