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

Systemtic Name: 2-(4-ethoxyphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-ethoxyphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-ethoxyphenyl)-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-ethoxyphenyl)-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-phenetyl-thiazole Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-2-29-21-9-3-17(4-10-21)22-23-18(16-30-22)15-24-11-13-25(14-12-24)19-5-7-20(8-6-19)26(27)28/h3-10,16H,2,11-15H2,1H3/p+1