3-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: 3-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]propanamide CAS Name: 3-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCC(=CC1)C2=CC=C(C=C2)O

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCC(=CC1)C2=CC=C(C=C2)O

InChI

InChI=1S/C20H28N2O3/c1-15(23)14-20(2,3)21-19(25)10-13-22-11-8-17(9-12-22)16-4-6-18(24)7-5-16/h4-8,24H,9-14H2,1-3H3,(H,21,25)/p+1