1-(3-chlorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c22-16-4-3-5-17(14-16)24-12-10-23(11-13-24)15-18-8-9-21(28-18)19-6-1-2-7-20(19)25(26)27/h1-9,14H,10-13,15H2/p+1