2-(2,4-dimethylphenyl)-4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O3/c1-16-7-8-19(17(2)13-16)22-23-18(15-29-22)14-24-9-11-25(12-10-24)20-5-3-4-6-21(20)26(27)28/h3-8,13,15H,9-12,14H2,1-2H3/p+1