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

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H22N4O/c1-14-15(2)23(16-8-4-3-5-9-16)19(17(14)12-20)21-18(24)13-22-10-6-7-11-22/h3-5,8-9H,6-7,10-11,13H2,1-2H3,(H,21,24)/p+1