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

Systemtic Name: (1E)-N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboximidate Openeye Name: (1E)-N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboximidate CAS Name: (1E)-N-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-4-(dimethylamino)-1-pyridin-1-iumcarboximidate IUPAC Name: (1E)-N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboximidate Traditional Name: (1E)-N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-4-(dimethylamino)pyridin-1-ium-1-carboximidate Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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