(3-tert-butyl-6-oxidanylidene-1-phenyl-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-phenethyl-azanium

Systemtic Name: (3-tert-butyl-6-oxidanylidene-1-phenyl-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-phenethyl-azanium Openeye Name: (3-tert-butyl-6-oxo-1-phenyl-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-phenethyl-ammonium CAS Name: (3-tert-butyl-6-oxo-1-phenyl-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-phenethylammonium IUPAC Name: (3-tert-butyl-6-oxo-1-phenyl-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-phenethylazanium Traditional Name: (3-tert-butyl-6-keto-1-phenyl-4,5,7,7a-tetrahydro-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-phenethyl-ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CC(C(=O)NC2N(N1)C3=CC=CC=C3)C[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=C2CC(C(=O)NC2N(N1)C3=CC=CC=C3)C[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c1-25(2,3)22-21-16-19(17-26-15-14-18-10-6-4-7-11-18)24(30)27-23(21)29(28-22)20-12-8-5-9-13-20/h4-13,19,23,26,28H,14-17H2,1-3H3,(H,27,30)/p+1