(4-ethylpiperazin-4-ium-1-yl)-[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[5-(m-tolylmethylsulfonylmethyl)-2-furyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[5-[(3-methylphenyl)methylsulfonylmethyl]-2-furanyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[5-[(3-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(=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC(=C3)C

InChI

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