1-(furan-2-yl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(furan-2-yl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2-furyl)-2-[4-(4-isobutylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(2-furanyl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(furan-2-yl)-2-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2-furyl)-2-[4-(4-isobutylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=CC=CO3

InChI

InChI=1S/C20H26N2O4S/c1-16(2)14-17-5-7-18(8-6-17)27(24,25)22-11-9-21(10-12-22)15-19(23)20-4-3-13-26-20/h3-8,13,16H,9-12,14-15H2,1-2H3/p+1