1,3,6-trimethyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: 1,3,6-trimethyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1,3,6-trimethyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: 1,3,6-trimethyl-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3,6-trimethyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1,3,6-trimethyl-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C20H24N6O/c1-13-10-16(18-14(2)24-25(3)19(18)23-13)20(27)22-12-15-6-7-21-17(11-15)26-8-4-5-9-26/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,22,27)/p+1