1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazin-4-ium

Systemtic Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazin-4-ium Openeye Name: 1-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazin-4-ium CAS Name: 1-[3-(2-furanylmethylthio)-4-nitrophenyl]piperazin-4-ium IUPAC Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazin-4-ium Traditional Name: 1-[3-(2-furfurylthio)-4-nitro-phenyl]piperazin-4-ium Formula: C15H18N3O3S+ MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

InChI

InChI=1S/C15H17N3O3S/c19-18(20)14-4-3-12(17-7-5-16-6-8-17)10-15(14)22-11-13-2-1-9-21-13/h1-4,9-10,16H,5-8,11H2/p+1