1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-4-(4-tosylpiperazino)butane-1,4-dione Formula: C24H33N4O5S+ MolecularWeight: 489.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C24H32N4O5S/c1-20-4-6-22(7-5-20)34(31,32)28-16-14-27(15-17-28)24(30)9-8-23(29)26-12-10-25(11-13-26)19-21-3-2-18-33-21/h2-7,18H,8-17,19H2,1H3/p+1