1-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N2O3S/c1-14-7-8-15(21-14)13-17-9-11-18(12-10-17)22(19,20)16-5-3-2-4-6-16/h2-8H,9-13H2,1H3/p+1