1,3,6-trimethyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3,6-trimethyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1,3,6-trimethyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3,6-trimethyl-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3,6-trimethyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1,3,6-trimethyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=NN(C2=N1)C)C)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C=C2C(=NN(C2=N1)C)C)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C22H27N5O/c1-15-19(13-18-16(2)25-26(3)21(18)24-15)22(28)23-14-20(27-11-7-8-12-27)17-9-5-4-6-10-17/h4-6,9-10,13,20H,7-8,11-12,14H2,1-3H3,(H,23,28)/p+1/t20-/m0/s1