1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C21H26N3O4S2+ MolecularWeight: 448.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c1-16-13-19(17(2)24(16)14-18-5-3-11-28-18)20(25)15-22-7-9-23(10-8-22)30(26,27)21-6-4-12-29-21/h3-6,11-13H,7-10,14-15H2,1-2H3/p+1