1-(2-chloranyl-4-nitro-phenyl)-4-(furan-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-(2-furfuryl)piperazin-4-ium Formula: C15H17ClN3O3+ MolecularWeight: 322.76678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN3O3/c16-14-10-12(19(20)21)3-4-15(14)18-7-5-17(6-8-18)11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2/p+1