4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole Formula: C19H20N5O2S+ MolecularWeight: 382.4594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S/c25-24(26)17-6-7-18(20-12-17)23-10-8-22(9-11-23)13-16-14-27-19(21-16)15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2/p+1