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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-nitrophenyl)-1,3-thiazole Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-nitrophenyl)thiazole CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-(4-nitrophenyl)thiazole IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-nitrophenyl)-1,3-thiazole Traditional Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-nitrophenyl)thiazole Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-28-20-5-3-2-4-19(20)24-12-10-23(11-13-24)14-21-22-18(15-29-21)16-6-8-17(9-7-16)25(26)27/h2-9,15H,10-14H2,1H3/p+1