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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]acetamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC(=O)NCC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC(=O)NCC=C)C

InChI

InChI=1S/C20H27N3O3/c1-4-9-21-20(26)22-18(24)13-23-10-7-16(8-11-23)19(25)17-6-5-14(2)12-15(17)3/h4-6,12,16H,1,7-11,13H2,2-3H3,(H2,21,22,24,26)/p+1