N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboxamide CAS Name: N-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-4-(dimethylamino)-1-pyridin-1-iumcarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H27N5O/c1-16-7-9-18(10-8-16)27-20(15-19(24-27)22(2,3)4)23-21(28)26-13-11-17(12-14-26)25(5)6/h7-15H,1-6H3/p+1