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

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N4O2/c1-17-14-20(18(2)26(17)15-19-6-5-13-28-19)21(27)16-24-9-11-25(12-10-24)22-7-3-4-8-23-22/h3-8,13-14H,9-12,15-16H2,1-2H3/p+2