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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-9-10(2)18-13(11(9)7-14)15-12(17)8-16-5-3-4-6-16/h3-6,8H2,1-2H3,(H,15,17)/p+1