4-(butylamino)-1,1-diethyl-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid

Systemtic Name: 4-(butylamino)-1,1-diethyl-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid Openeye Name: 4-(butylamino)-1,1-diethyl-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid CAS Name: 4-(butylamino)-1,1-diethyl-5-pyrazolo[3,4-b]pyridin-1-iumcarboxylic acid IUPAC Name: 4-(butylamino)-1,1-diethylpyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid Traditional Name: 4-(butylamino)-1,1-diethyl-pyrazolo[3,4-b]pyridin-1-ium-5-carboxylic acid Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=N[N+](C2=NC=C1C(=O)O)(CC)CC

Isomeric SMILES

CCCCNC1=C2C=N[N+](C2=NC=C1C(=O)O)(CC)CC

InChI

InChI=1S/C15H22N4O2/c1-4-7-8-16-13-11-10-18-19(5-2,6-3)14(11)17-9-12(13)15(20)21/h9-10H,4-8H2,1-3H3,(H-,16,17,18,20,21)/p+1