N-[2,4-bis(chloranyl)-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]-3-nitro-benzamide

Systemtic Name: N-[2,4-bis(chloranyl)-6-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]-3-nitro-benzamide Openeye Name: N-[2,4-dichloro-6-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-3-nitro-benzamide CAS Name: N-[2,4-dichloro-6-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[2,4-dichloro-6-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: N-[2,4-dichloro-6-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-3-nitro-benzamide Formula: C19H19Cl2N4O4+ MolecularWeight: 438.28456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C19H18Cl2N4O4/c1-23-5-7-24(8-6-23)19(27)15-10-13(20)11-16(21)17(15)22-18(26)12-3-2-4-14(9-12)25(28)29/h2-4,9-11H,5-8H2,1H3,(H,22,26)/p+1