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

Systemtic Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[5-(4-nitrophenyl)-2-furyl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[5-(4-nitrophenyl)-2-furanyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[5-(4-nitrophenyl)-2-furyl]methyl]-4-phenyl-piperazin-1-ium Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c25-24(26)19-8-6-17(7-9-19)21-11-10-20(27-21)16-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-11H,12-16H2/p+1