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

Systemtic Name: 6-methyl-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-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 6-methyl-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]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-6-methyl-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)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-15(2)27-21-18(12-23-27)11-20(16(3)24-21)22(28)25-19-9-10-26(14-19)13-17-7-5-4-6-8-17/h4-8,11-12,15,19H,9-10,13-14H2,1-3H3,(H,25,28)/p+1/t19-/m0/s1