[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(2-chloro-4-nitro-phenyl)-2-furyl]methanone CAS Name: [5-(2-chloro-4-nitrophenyl)-2-furanyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-(2-chloro-4-nitro-phenyl)-2-furyl]methanone Formula: C22H21ClN3O4+ MolecularWeight: 426.87284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4/c23-19-14-17(26(28)29)6-7-18(19)20-8-9-21(30-20)22(27)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1