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

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H27N3O4S/c1-2-4-17-6-8-19(9-7-17)28(25,26)23-12-10-22(11-13-23)16-20(24)21-15-18-5-3-14-27-18/h3,5-9,14H,2,4,10-13,15-16H2,1H3,(H,21,24)/p+1