2-(4-tert-butylphenyl)-5-(methoxymethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one

Systemtic Name: 2-(4-tert-butylphenyl)-5-(methoxymethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Openeye Name: 2-(4-tert-butylphenyl)-5-(methoxymethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one CAS Name: 2-(4-tert-butylphenyl)-5-(methoxymethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one IUPAC Name: 2-(4-tert-butylphenyl)-5-(methoxymethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Traditional Name: 2-(4-tert-butylphenyl)-5-(methoxymethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-7-one Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=[N+](N2)C(=O)C=C(N3)COC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=[N+](N2)C(=O)C=C(N3)COC

InChI

InChI=1S/C18H21N3O2/c1-18(2,3)13-7-5-12(6-8-13)15-10-16-19-14(11-23-4)9-17(22)21(16)20-15/h5-10H,11H2,1-4H3,(H,19,20,22)/p+1