(4-ethylpiperazin-4-ium-1-yl)-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(o-tolylmethylsulfonylmethyl)-2-furyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-[(2-methylphenyl)methylsulfonylmethyl]-2-furanyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-[(2-methylbenzyl)sulfonylmethyl]-2-furyl]methanone Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C20H26N2O4S/c1-3-21-10-12-22(13-11-21)20(23)19-9-8-18(26-19)15-27(24,25)14-17-7-5-4-6-16(17)2/h4-9H,3,10-15H2,1-2H3/p+1