1-[(10-chloranylanthracen-9-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(10-chloranylanthracen-9-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(10-chloro-9-anthryl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(10-chloro-9-anthracenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(10-chloroanthracen-9-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(10-chloro-9-anthryl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C25H23ClN3O2+ MolecularWeight: 432.92202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN3O2/c26-25-22-7-3-1-5-20(22)24(21-6-2-4-8-23(21)25)17-27-13-15-28(16-14-27)18-9-11-19(12-10-18)29(30)31/h1-12H,13-17H2/p+1