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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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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=C3)CC4=CC=CO4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-18-19(2)29(16-21-9-6-14-31-21)24(22(18)15-25)26-23(30)17-27-10-12-28(13-11-27)20-7-4-3-5-8-20/h3-9,14H,10-13,16-17H2,1-2H3,(H,26,30)/p+1