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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O/c1-16-17(2)25(14-18-9-5-3-6-10-18)21(19(16)13-22)23-20(26)15-24-11-7-4-8-12-24/h3,5-6,9-10H,4,7-8,11-12,14-15H2,1-2H3,(H,23,26)/p+1