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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)OC)OC)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O3/c1-15-17(14-25-9-11-26(12-10-25)21-22-7-4-8-23-21)24-20(29-15)16-5-6-18(27-2)19(13-16)28-3/h4-8,13H,9-12,14H2,1-3H3/p+1