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

Systemtic Name: 2-chloranyl-N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-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)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

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

InChI

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