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

Systemtic Name: 2-methyl-4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-methyl-4-[[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-methyl-4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C14H18N5O2S+ MolecularWeight: 320.39002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O2S/c1-11-16-12(10-22-11)9-17-4-6-18(7-5-17)14-3-2-13(8-15-14)19(20)21/h2-3,8,10H,4-7,9H2,1H3/p+1