3-(4-dimethylaminophenyl)-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-(4-dimethylaminophenyl)-N-(3-oxidanylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-(4-dimethylaminophenyl)-N-(3-hydroxypyridin-1-ium-2-yl)propanamide CAS Name: 3-(4-dimethylaminophenyl)-N-(3-hydroxy-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-(4-dimethylaminophenyl)-N-(3-hydroxypyridin-1-ium-2-yl)propanamide Traditional Name: 3-(4-dimethylaminophenyl)-N-(3-hydroxypyridin-1-ium-2-yl)propionamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C16H19N3O2/c1-19(2)13-8-5-12(6-9-13)7-10-15(21)18-16-14(20)4-3-11-17-16/h3-6,8-9,11,20H,7,10H2,1-2H3,(H,17,18,21)/p+1