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

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]acetamide Formula: C21H29N4OS+ MolecularWeight: 385.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C21H28N4OS/c1-16-17(2)25(14-18-9-8-12-27-18)21(19(16)13-22)23-20(26)15-24-10-6-4-3-5-7-11-24/h8-9,12H,3-7,10-11,14-15H2,1-2H3,(H,23,26)/p+1