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

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-piperidin-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+]2CCCCC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H26N4O2/c1-15-16(2)25(17-7-9-18(27-3)10-8-17)21(19(15)13-22)23-20(26)14-24-11-5-4-6-12-24/h7-10H,4-6,11-12,14H2,1-3H3,(H,23,26)/p+1