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

Systemtic Name: 4-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Openeye Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)thiazole CAS Name: 4-[[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-(4-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)thiazole Formula: C21H22ClN4O3S+ MolecularWeight: 445.94238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-29-18-5-2-15(3-6-18)21-23-16(14-30-21)13-24-8-10-25(11-9-24)20-7-4-17(26(27)28)12-19(20)22/h2-7,12,14H,8-11,13H2,1H3/p+1