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

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(3-thenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C22H27N3O2S/c1-17-12-21(18(2)25(17)14-20-4-3-10-27-20)22(26)15-24-8-6-23(7-9-24)13-19-5-11-28-16-19/h3-5,10-12,16H,6-9,13-15H2,1-2H3/p+1