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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H24N4O/c1-15-16(2)24(13-17-8-4-3-5-9-17)20(18(15)12-21)22-19(25)14-23-10-6-7-11-23/h3-5,8-9H,6-7,10-11,13-14H2,1-2H3,(H,22,25)/p+1