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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C22H28N4O/c1-16-9-11-25(12-10-16)15-21(27)24-22-20(13-23)17(2)18(3)26(22)14-19-7-5-4-6-8-19/h4-8,16H,9-12,14-15H2,1-3H3,(H,24,27)/p+1