3-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C15H18ClN4O3+ MolecularWeight: 337.78142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H17ClN4O3/c1-11-8-12(17-23-11)10-18-4-6-19(7-5-18)15-3-2-13(20(21)22)9-14(15)16/h2-3,8-9H,4-7,10H2,1H3/p+1