4-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2,4-dichlorobenzyl)-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C18H19Cl2N4O3+ MolecularWeight: 410.27446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18Cl2N4O3/c19-14-5-4-13(17(20)10-14)12-22-6-8-23(9-7-22)18(25)21-15-2-1-3-16(11-15)24(26)27/h1-5,10-11H,6-9,12H2,(H,21,25)/p+1