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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N

InChI

InChI=1S/C22H28N4O/c1-16-8-7-11-25(13-16)15-21(27)24-22-20(12-23)17(2)18(3)26(22)14-19-9-5-4-6-10-19/h4-6,9-10,16H,7-8,11,13-15H2,1-3H3,(H,24,27)/p+1/t16-/m1/s1