N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=CC(=C(C=C2C#N)OC)OC)C

InChI

InChI=1S/C18H25N3O3/c1-12-5-13(2)10-21(9-12)11-18(22)20-15-7-17(24-4)16(23-3)6-14(15)8-19/h6-7,12-13H,5,9-11H2,1-4H3,(H,20,22)/p+1/t12-,13-/m0/s1