4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]benzamide Formula: C19H21N8O3+ MolecularWeight: 409.42184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N8O3/c1-24-6-8-25(9-7-24)16-4-2-14(10-17(16)27(29)30)19(28)23-15-3-5-18(21-11-15)26-13-20-12-22-26/h2-5,10-13H,6-9H2,1H3,(H,23,28)/p+1