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

Systemtic Name: 2-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-(p-tolyl)thiazole CAS Name: 2-(4-methylphenyl)-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-(p-tolyl)thiazole Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-16-2-4-17(5-3-16)21-22-18(15-28-21)14-23-10-12-24(13-11-23)19-6-8-20(9-7-19)25(26)27/h2-9,15H,10-14H2,1H3/p+1