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

Systemtic Name: 2-methyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-methyl-4-[[4-(3-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-methyl-4-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-4-[[4-(3-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=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

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