2-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Formula: C12H16ClN4O3+ MolecularWeight: 299.73344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O3/c1-15-4-6-16(7-5-15)14-12(18)10-8-9(17(19)20)2-3-11(10)13/h2-3,8H,4-7H2,1H3,(H,14,18)/p+1