1-(furan-2-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(furan-2-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-furylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-furanylmethyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-furfuryl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C15H18N3O5S+ MolecularWeight: 352.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c19-18(20)13-3-1-5-15(11-13)24(21,22)17-8-6-16(7-9-17)12-14-4-2-10-23-14/h1-5,10-11H,6-9,12H2/p+1