N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O/c1-15(2)26-20-17(12-23-26)10-18(11-22-20)21(27)24-19-8-9-25(14-19)13-16-6-4-3-5-7-16/h3-7,10-12,15,19H,8-9,13-14H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1