2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H23N5O4/c1-14-16(12-25-6-8-26(9-7-25)21-22-4-3-5-23-21)24-20(30-14)15-10-17(27-2)19-18(11-15)28-13-29-19/h3-5,10-11H,6-9,12-13H2,1-2H3/p+1