1-(2-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-chlorophenyl)-4-(2-nitrobenzyl)piperazin-4-ium Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C17H18ClN3O2/c18-15-6-2-4-8-17(15)20-11-9-19(10-12-20)13-14-5-1-3-7-16(14)21(22)23/h1-8H,9-13H2/p+1