1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(furan-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-furfuryl)piperazin-4-ium Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C14H20N4O3S/c1-11-14(12(2)16-15-11)22(19,20)18-7-5-17(6-8-18)10-13-4-3-9-21-13/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)/p+1