4-bromanyl-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-bromo-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-bromo-N-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: 4-bromo-N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C12H16BrN4O3+ MolecularWeight: 344.18444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN4O3/c1-15-4-6-16(7-5-15)14-12(18)9-2-3-10(13)11(8-9)17(19)20/h2-3,8H,4-7H2,1H3,(H,14,18)/p+1