N-(3,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(3,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(3,4-dichlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(3,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: N-(3,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-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)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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