1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)sulfonyl]-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-(2-furfuryl)piperazin-4-ium Formula: C15H23N4O3S+ MolecularWeight: 339.43312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CCN1C(=C(C=N1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C15H22N4O3S/c1-3-19-13(2)15(11-16-19)23(20,21)18-8-6-17(7-9-18)12-14-5-4-10-22-14/h4-5,10-11H,3,6-9,12H2,1-2H3/p+1