N-(1-cyanocyclopentyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3(CCCC3)C#N)C

InChI

InChI=1S/C22H29N3O2/c1-16-5-6-19(17(2)13-16)21(27)18-7-11-25(12-8-18)14-20(26)24-22(15-23)9-3-4-10-22/h5-6,13,18H,3-4,7-12,14H2,1-2H3,(H,24,26)/p+1