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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-phenyloxazole IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole Formula: C20H20ClN4O3+ MolecularWeight: 399.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/c21-16-6-7-17(18(12-16)25(26)27)24-10-8-23(9-11-24)14-20-22-13-19(28-20)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1