3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CCC(=O)NC3=NOC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CCC(=O)NC3=NOC(=C3)C)C

InChI

InChI=1S/C21H27N3O3/c1-14-4-5-18(15(2)12-14)21(26)17-6-9-24(10-7-17)11-8-20(25)22-19-13-16(3)27-23-19/h4-5,12-13,17H,6-11H2,1-3H3,(H,22,23,25)/p+1