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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-[(3R)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2CC3=CC=CS3)C)C)C#N

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2CC3=CC=CS3)C)C)C#N

InChI

InChI=1S/C20H26N4OS/c1-14-6-4-8-23(11-14)13-19(25)22-20-18(10-21)15(2)16(3)24(20)12-17-7-5-9-26-17/h5,7,9,14H,4,6,8,11-13H2,1-3H3,(H,22,25)/p+1/t14-/m1/s1