[4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-yl]methanol

Systemtic Name: [4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-yl]methanol Openeye Name: [4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-yl]methanol CAS Name: [4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-yl]methanol IUPAC Name: [4-[(4-methoxyphenyl)methylamino]-1-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-yl]methanol Traditional Name: [1-methyl-4-(p-anisylamino)-2H-pyrazolo[3,4-b]pyridin-1-ium-5-yl]methanol Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=CN1)C(=C(C=N2)CO)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[N+]1=C2C(=CN1)C(=C(C=N2)CO)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H18N4O2/c1-20-16-14(9-19-20)15(12(10-21)8-18-16)17-7-11-3-5-13(22-2)6-4-11/h3-6,8-9,21H,7,10H2,1-2H3,(H,17,18,19)/p+1