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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C19H25N4OS+ MolecularWeight: 357.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C19H24N4OS/c1-14-15(2)23(12-16-7-6-10-25-16)19(17(14)11-20)21-18(24)13-22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,12-13H2,1-2H3,(H,21,24)/p+1