N-[(2,4-dichlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(2,4-dichlorobenzyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C19H21Cl2N4O3+ MolecularWeight: 424.30104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20Cl2N4O3/c1-23-6-8-24(9-7-23)17-5-3-13(10-18(17)25(27)28)19(26)22-12-14-2-4-15(20)11-16(14)21/h2-5,10-11H,6-9,12H2,1H3,(H,22,26)/p+1