N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H23N3O4S/c1-15-4-6-17(7-5-15)26(23,24)21-10-8-20(9-11-21)14-18(22)19-13-16-3-2-12-25-16/h2-7,12H,8-11,13-14H2,1H3,(H,19,22)/p+1