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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]acetamide Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)CC3=CC=CS3)C

InChI

InChI=1S/C20H25N5O2S/c1-14-15(2)25(12-17-5-4-10-28-17)20(18(14)11-21)22-19(27)13-23-6-8-24(9-7-23)16(3)26/h4-5,10H,6-9,12-13H2,1-3H3,(H,22,27)/p+1