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

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-14-15(2)25(16-4-6-18(28-3)7-5-16)21(19(14)12-22)23-20(27)13-24-10-8-17(26)9-11-24/h4-7,17,26H,8-11,13H2,1-3H3,(H,23,27)/p+1