N-[3,5-bis(chloranyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(3,5-dichlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(3,5-dichlorophenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3,5-dichlorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C18H19Cl2N4O3+ MolecularWeight: 410.27446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18Cl2N4O3/c1-22-4-6-23(7-5-22)16-3-2-12(8-17(16)24(26)27)18(25)21-15-10-13(19)9-14(20)11-15/h2-3,8-11H,4-7H2,1H3,(H,21,25)/p+1