1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-chloro-5-nitro-benzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C17H18ClN4O4+ MolecularWeight: 377.80222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4/c18-17-6-5-16(22(25)26)11-13(17)12-19-7-9-20(10-8-19)14-1-3-15(4-2-14)21(23)24/h1-6,11H,7-10,12H2/p+1