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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C18H22N4OS/c1-13-14(2)22(11-15-6-5-9-24-15)18(16(13)10-19)20-17(23)12-21-7-3-4-8-21/h5-6,9H,3-4,7-8,11-12H2,1-2H3,(H,20,23)/p+1