2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(pyridin-1-ium-4-ylmethyl)propanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(pyridin-1-ium-4-ylmethyl)propanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(pyridin-1-ium-4-ylmethyl)propanamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyridin-1-iumylmethyl)propanamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-1-ium-4-ylmethyl)propanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(pyridin-1-ium-4-ylmethyl)propionamide Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NCC2=CC=[NH+]C=C2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NCC2=CC=[NH+]C=C2

InChI

InChI=1S/C17H19ClN2O2/c1-11-8-15(9-12(2)16(11)18)22-13(3)17(21)20-10-14-4-6-19-7-5-14/h4-9,13H,10H2,1-3H3,(H,20,21)/p+1