N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-morpholin-4-ium-4-yl-acetamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCOCC2)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCOCC2)C3CCCC3)C

InChI

InChI=1S/C18H26N4O2/c1-13-14(2)22(15-5-3-4-6-15)18(16(13)11-19)20-17(23)12-21-7-9-24-10-8-21/h15H,3-10,12H2,1-2H3,(H,20,23)/p+1