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

Systemtic Name: 5-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Openeye Name: 5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole CAS Name: 5-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-(2-methoxyphenyl)isoxazole IUPAC Name: 5-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole Traditional Name: 5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methoxyphenyl)isoxazole Formula: C21H22ClN4O4+ MolecularWeight: 429.87678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4/c1-29-21-5-3-2-4-17(21)18-13-16(30-23-18)14-24-8-10-25(11-9-24)19-7-6-15(22)12-20(19)26(27)28/h2-7,12-13H,8-11,14H2,1H3/p+1