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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCC2)C[C@H]3CCCO3)C

InChI

InChI=1S/C19H28N4O2/c1-14-15(2)23(12-16-7-6-10-25-16)19(17(14)11-20)21-18(24)13-22-8-4-3-5-9-22/h16H,3-10,12-13H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1