1-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-(2-furanylmethyl)-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(2-furfuryl)piperazin-4-ium Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N2O3S/c19-22(20,14-15-5-2-1-3-6-15)18-10-8-17(9-11-18)13-16-7-4-12-21-16/h1-7,12H,8-11,13-14H2/p+1