2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methoxy]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methoxy]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H23N4O5+ MolecularWeight: 423.44182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COCC3=NOC(=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COCC3=NOC(=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O5/c27-22(26-9-7-25(8-10-26)21-3-1-2-6-23-21)14-28-13-17-12-19(31-24-17)16-4-5-18-20(11-16)30-15-29-18/h1-6,11-12H,7-10,13-15H2/p+1