[5-(4-nitrophenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(4-nitrophenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-nitrophenyl)-2-furyl]methanone CAS Name: [5-(4-nitrophenyl)-2-furanyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-nitrophenyl)furan-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(4-nitrophenyl)-2-furyl]methanone Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-22(24-14-12-23(13-15-24)16-17-4-2-1-3-5-17)21-11-10-20(29-21)18-6-8-19(9-7-18)25(27)28/h1-11H,12-16H2/p+1