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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H28N6O2+2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)CC4=CC=CO4)C

InChI

InChI=1S/C23H26N6O2/c1-17-18(2)29(15-19-6-5-13-31-19)23(20(17)14-24)26-22(30)16-27-9-11-28(12-10-27)21-7-3-4-8-25-21/h3-8,13H,9-12,15-16H2,1-2H3,(H,26,30)/p+2