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

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(2,4-dichlorobenzyl)-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C20H23Cl2N4O3+ MolecularWeight: 438.32762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22Cl2N4O3/c1-23-7-9-25(10-8-23)18-6-4-14(11-19(18)26(28)29)20(27)24(2)13-15-3-5-16(21)12-17(15)22/h3-6,11-12H,7-10,13H2,1-2H3/p+1