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

Systemtic Name: 4-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole Openeye Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-thiazole CAS Name: 4-[[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-methylthiazole IUPAC Name: 4-[[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole Traditional Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-thiazole Formula: C15H18ClN4O2S+ MolecularWeight: 353.84702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H17ClN4O2S/c1-11-17-12(10-23-11)9-18-4-6-19(7-5-18)15-3-2-13(20(21)22)8-14(15)16/h2-3,8,10H,4-7,9H2,1H3/p+1