2-azanylethyl-[2-[1-(carboxymethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-dimethyl-azanium

Systemtic Name: 2-azanylethyl-[2-[1-(carboxymethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-dimethyl-azanium Openeye Name: 2-aminoethyl-[2-[1-(carboxymethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-dimethyl-ammonium CAS Name: 2-aminoethyl-[2-[1-(carboxymethyl)-4-pyrazolo[3,4-b]pyridinyl]phenyl]-dimethylammonium IUPAC Name: 2-aminoethyl-[2-[1-(carboxymethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-dimethylazanium Traditional Name: 2-aminoethyl-[2-[1-(carboxymethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-dimethyl-ammonium Formula: C18H22N5O2+ MolecularWeight: 340.39958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN)C1=CC=CC=C1C2=C3C=NN(C3=NC=C2)CC(=O)O

Isomeric SMILES

C[N+](C)(CCN)C1=CC=CC=C1C2=C3C=NN(C3=NC=C2)CC(=O)O

InChI

InChI=1S/C18H21N5O2/c1-23(2,10-8-19)16-6-4-3-5-14(16)13-7-9-20-18-15(13)11-21-22(18)12-17(24)25/h3-7,9,11H,8,10,12,19H2,1-2H3/p+1