2-(dimethylamino)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(2-methylphenyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-(dimethylamino)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(2-methylphenyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-(dimethylamino)-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-6-(o-tolyl)pyridin-1-ium-3-carboxamide CAS Name: 2-(dimethylamino)-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-6-(2-methylphenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(dimethylamino)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(2-methylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(dimethylamino)-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]-6-(o-tolyl)pyridin-1-ium-3-carboxamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=[NH+]C(=C(C=C2)C(=O)N(C)CC3=CC(=NO3)C)N(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=[NH+]C(=C(C=C2)C(=O)N(C)CC3=CC(=NO3)C)N(C)C

InChI

InChI=1S/C21H24N4O2/c1-14-8-6-7-9-17(14)19-11-10-18(20(22-19)24(3)4)21(26)25(5)13-16-12-15(2)23-27-16/h6-12H,13H2,1-5H3/p+1