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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O2/c1-15-16(2)25(13-17-6-4-3-5-7-17)21(19(15)12-22)23-20(27)14-24-10-8-18(26)9-11-24/h3-7,18,26H,8-11,13-14H2,1-2H3,(H,23,27)/p+1